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Records |
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Author |
Miglio, A.; Saniz, R.; Waroquiers, D.; Stankovski, M.; Giantomassi, M.; Hautier, G.; Rignanese, G.-M.; Gonze, X. |
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Title |
Computed electronic and optical properties of SnO2 under compressive stress |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Optical materials |
Abbreviated Journal |
Opt Mater |
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Volume |
38 |
Issue |
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Pages |
161-166 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We consider the effects of three different types of applied compressive stress on the structural, electronic and optical properties of rutile SnO2. We use standard density functional theory (OFT) to determine the structural parameters. The effective masses and the electronic band gap, as well as their stress derivatives, are computed within both DFT and many-body perturbation theory (MBPT). The stress derivatives for the SnO2 direct band gap are determined to be 62, 38 and 25 meV/GPa within MBPT for applied hydrostatic, biaxial and uniaxial stress, respectively. Compared to DFT, this is a clear improvement with respect to available experimental data. We also estimate the exciton binding energies and their stress coefficients and compute the absorption spectrum by solving the Bethe-Salpeter equation. (C) 2014 Elsevier B.V. All rights reserved. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000346228800028 |
Publication Date |
2014-11-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0925-3467; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.238 |
Times cited |
6 |
Open Access |
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Notes |
; This work was supported by the FRS-FNRS through a FRIA grant (D.W.) and a FNRS grant (G.H.). This work was also supported by the IWT Project Number 080023 (ISIMADE), the Region Wallonne through WALL-ETSF project Number 816849, the EU-FP7 HT4TCOS Grant No. PCIG11-GA-2912-321988, the FRS-FNRS through contracts FRFC Number 2.4.589.09.F and AIXPHO (PDR Grant T-0238.13). The authors would like to thank Yann Pouillon and Jean-Michel Beuken for their valuable technical support and help with the test and build system of ABINIT. Computational resources have been provided by the supercomputing facilities of the Universite catholique de Louvain (CISM/UCL) and the Consortium des Equipements de Calcul Intensif en Federation Wallonie Bruxelles (CECI) funded by the Fonds de la Recherche Scientifique de Belgique (FRS-FNRS) under Grant No. 2.5020.11. ; |
Approved |
Most recent IF: 2.238; 2014 IF: 1.981 |
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Call Number |
UA @ lucian @ c:irua:122747 |
Serial |
460 |
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Permanent link to this record |
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Author |
Khazzan, S.; Bessais, L.; Van Tendeloo, G.; Mliki, N. |
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Title |
Correlation between the nanocrystalline Sm(Fe,Mo)12 and its out of equilibrium phase Sm(Fe,Mo)10 |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Journal of magnetism and magnetic materials |
Abbreviated Journal |
J Magn Magn Mater |
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Volume |
363 |
Issue |
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Pages |
125-132 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Nanostructured Sm-Fe-Mo semi-hard magnetic material exhibiting enhanced magnetic properties can be produced by ball milling followed by recrystallization. Milled samples were annealed for 30 min in a vacuum at different temperatures (T-A) between 700 and 1190 degrees C. The effects of heat treatment and Mo content on structural and magnetic property changes have been investigated by means of X-ray diffraction using the Rietvekl method, transmission electron microscopy and magnetic measurements. For samples annealed at T-A > 900 degrees C the tetragonal ThMn12-type structure is identified, while for 700 < T-A < 900 degrees C a new out of equilibrium P6/mmm type structure was found as the major phase. This novel nanocrystalline phase has never been synthesized before. The correspondent stoichiometry is determined on the basis of the vacancy model. The Rietveld analysis gives a stoichiometry ratio equal to 1:10, for the out of equilibrium hexagonal phase, which is described with three crystallographic transition metal sites: 3g is fully occupied, 61 occupation is limited to hexagons surrounding the Fe dumbbell pairs 2e. We have performed a magnetic and structural study of nanocrystalline metastable P6/mrnm Sm(Fe1-xMo)(10), correlated with structural transformation towards its equilibrium derivative 14/mrnm Sm(Fe1-xMo)(12). A maximum of the coercive field H-C (H-C > 5 kOe) has been observed for the new hexagonal P6/rnmm phase suggesting that nanocrystalline Sm(Fe,Mo)(10), is a semi hard material, and is potential candidate for magnetic recording. (C) 2014 Elsevier B.V. All rights reserved. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000335393900021 |
Publication Date |
2014-04-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0304-8853; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.63 |
Times cited |
6 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.63; 2014 IF: 1.970 |
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Call Number |
UA @ lucian @ c:irua:117139 |
Serial |
524 |
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Permanent link to this record |
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Author |
Van den Broek, W.; Rosenauer, A.; Van Aert, S.; Sijbers, J.; van Dyck, D. |
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Title |
A memory efficient method for fully three-dimensional object reconstruction with HAADF STEM |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
141 |
Issue |
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Pages |
22-31 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
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Abstract |
The conventional approach to object reconstruction through electron tomography is to reduce the three-dimensional problem to a series of independent two-dimensional slice-by-slice reconstructions. However, at atomic resolution the image of a single atom extends over many such slices and incorporating this image as prior knowledge in tomography or depth sectioning therefore requires a fully three-dimensional treatment. Unfortunately, the size of the three-dimensional projection operator scales highly unfavorably with object size and readily exceeds the available computer memory. In this paper, it is shown that for incoherent image formation the memory requirement can be reduced to the fundamental lower limit of the object size, both for tomography and depth sectioning. Furthermore, it is shown through multislice calculations that high angle annular dark field scanning transmission electron microscopy can be sufficiently incoherent for the reconstruction of single element nanocrystals, but that dynamical diffraction effects can cause classification problems if more than one element is present. (C) 2014 Elsevier B.V. All rights reserved. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000335766600004 |
Publication Date |
2014-03-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0304-3991; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.843 |
Times cited |
6 |
Open Access |
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Notes |
ResearchFoundationFlanders(FWO;G.0393.11; G.0064.10;andG.0374.13); European Union Seventh Frame- workProgramme [FP7/2007-2013]under Grant agreement no. 312483 (ESTEEM2).; esteem2jra2; esteem2jra4 |
Approved |
Most recent IF: 2.843; 2014 IF: 2.436 |
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Call Number |
UA @ lucian @ c:irua:117650 |
Serial |
1992 |
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Permanent link to this record |
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Author |
Duarte-Neto, P.; Stosic, B.; Stosic, T.; Lessa, R.; Milošević, M.V.; Stanley, H.E. |
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Title |
Multifractal properties of a closed contour : a peek beyond the shape analysis |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
PLoS ONE |
Abbreviated Journal |
Plos One |
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Volume |
9 |
Issue |
12 |
Pages |
e115262 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
In recent decades multifractal analysis has been successfully applied to characterize the complex temporal and spatial organization of such diverse natural phenomena as heartbeat dynamics, the dendritic shape of neurons, retinal vessels, rock fractures, and intricately shaped volcanic ash particles. The characterization of multifractal properties of closed contours has remained elusive because applying traditional methods to their quasi-one-dimensional nature yields ambiguous answers. Here we show that multifractal analysis can reveal meaningful and sometimes unexpected information about natural structures with a perimeter well-defined by a closed contour. To this end, we demonstrate how to apply multifractal detrended fluctuation analysis, originally developed for the analysis of time series, to an arbitrary shape of a given study object. In particular, we show the application of the method to fish otoliths, calcareous concretions located in fish's inner ear. Frequently referred to as the fish's “black box”, they contain a wealth of information about the fish's life history and thus have recently attracted increasing attention. As an illustrative example, we show that a multifractal approach can uncover unexpected relationships between otolith contours and size and age of fish at maturity. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000347239900030 |
Publication Date |
2014-12-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1932-6203; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.806 |
Times cited |
6 |
Open Access |
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Notes |
; Funding: This work was supported by CNPq, Brazil (Projects No. 201506/2011-4, No. 303251/2010-7, and No. 306719/2012-6). MVM acknowledges support from Flemish Science Foundation (FWO-Vlaanderen) and CAPES PVE action No. BEX1392/ 11-5. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. ; |
Approved |
Most recent IF: 2.806; 2014 IF: 3.234 |
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Call Number |
UA @ lucian @ c:irua:123770 |
Serial |
2218 |
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Permanent link to this record |
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Author |
Goncalves, W.C.; Sardella, E.; Becerra, V.F.; Milošević, M.V.; Peeters, F.M. |
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Title |
Numerical solution of the time dependent Ginzburg-Landau equations for mixed (d plus s)-wave superconductors |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Journal of mathematical physics |
Abbreviated Journal |
J Math Phys |
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Volume |
55 |
Issue |
4 |
Pages |
041501 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The time-dependent Ginzburg-Landau formalism for (d + s)-wave superconductors and their representation using auxiliary fields is investigated. By using the link variable method, we then develop suitable discretization of these equations. Numerical simulations are carried out for a mesoscopic superconductor in a homogeneous perpendicular magnetic field which revealed peculiar vortex states. (C) 2014 AIP Publishing LLC. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000336084100001 |
Publication Date |
2014-04-16 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-2488;1089-7658; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.077 |
Times cited |
6 |
Open Access |
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Notes |
; We thank the Brazilian Agency FAPESP and Flemish Science Foundation (FSF) (FWO-Vlaanderen) for financial support. M. V. M. acknowledges support from the CAPES-PVE program. ; |
Approved |
Most recent IF: 1.077; 2014 IF: 1.243 |
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Call Number |
UA @ lucian @ c:irua:117728 |
Serial |
2407 |
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Permanent link to this record |
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Author |
E. Zaghi, A.; Buffière, M.; Koo, J.; Brammertz, G.; Batuk, M.; Verbist, C.; Hadermann, J.; Kim, W.K.; Meuris, M.; Poortmans, J.; Vleugels, J.; |
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Title |
Effect of selenium content of CuInSex alloy nanopowder precursors on recrystallization of printed CuInSe2 absorber layers during selenization heat treatment |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Thin solid films : an international journal on the science and technology of thin and thick films |
Abbreviated Journal |
Thin Solid Films |
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Volume |
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Issue |
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Pages |
1-7 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Polycrystalline CuInSe2 semiconductors are efficient light absorber materials for thin film solar cell technology, whereas printing is one of the promising low cost and non-vacuum approaches for the fabrication of thin film solar cells. The printed precursors are transformed into a dense polycrystalline CuInSe2 semiconductor film via thermal treatment in ambient selenium atmosphere (selenization). In this study, the effect of the selenium content in high purity mechanically synthesized CuInSex (x = 2, 1.5, 1 or 0.5) alloy precursors on the recrystallization of the CuInSe2 phase during the selenization process was investigated. The nanostructure and phase variation of CuInSex nanopowders were investigated by different characterization techniques. The recrystallization process of the 12 μm thick CuInSex coatings into the CuInSe2 phase during selenization in selenium vapor was investigated via in-situ high temperature X-ray diffraction. The CuInSex precursors with lower selenium content showed a more pronounced phase conversion into CuInSe2 compared to the higher selenium content CuInSex precursors. Moreover, the CuInSex (x = 0.5 and 1) precursor resulted in a denser polycrystalline CuInSe2 semiconductor film with larger crystals. This could be attributed to a more intensive atomic interdiffusion within the CuInSex precursor system compared to a CuInSe2 phase precursor, and the formation of intermediate CuSe and CuSe2 fluxing phases during selenization. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lausanne |
Editor |
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Language |
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Wos |
000352225900004 |
Publication Date |
2014-10-13 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0040-6090; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.879 |
Times cited |
7 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.879; 2014 IF: 1.759 |
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Call Number |
c:irua:121330 |
Serial |
834 |
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Permanent link to this record |
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Author |
Breynaert, E.; Emmerich, J.; Mustafa, D.; Bajpe, S.R.; Altantzis, T.; Van Havenbergh, K.; Taulelle, F.; Bals, S.; Van Tendeloo, G.; Kirschhock, C.E.A.; Martens, J.A.; |
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Title |
Enhanced self-assembly of metal oxides and metal-organic frameworks from precursors with magnetohydrodynamically induced long-lived collective spin states |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Advanced materials |
Abbreviated Journal |
Adv Mater |
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Volume |
26 |
Issue |
30 |
Pages |
5173-5178 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Magneto-hydrodynamic generation of long-lived collective spin states and their impact on crystal morphology is demonstrated for three different, technologically relevant materials: COK-16 metal organic framework, manganese oxide nanotubes, and vanadium oxide nano-scrolls. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Weinheim |
Editor |
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Language |
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Wos |
000340546300015 |
Publication Date |
2014-06-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0935-9648; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
19.791 |
Times cited |
7 |
Open Access |
OpenAccess |
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Notes |
IAP-PAI; Marie Curie IEF; 262348 ESMI; 335078 COLOURATOM; 246791 COUNTATOMS; IWT; Methusalem; FWO; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); |
Approved |
Most recent IF: 19.791; 2014 IF: 17.493 |
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Call Number |
UA @ lucian @ c:irua:118827 |
Serial |
1053 |
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Permanent link to this record |
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Author |
Xiao, Y.M.; Xu, W.; Peeters, F.M. |
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Title |
Infrared to terahertz absorption window in mono- and multi-layer graphene systems |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Optics communications |
Abbreviated Journal |
Opt Commun |
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Volume |
328 |
Issue |
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Pages |
135-142 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We present a theoretical study on optical properties such as optical conductance and light transmission coefficient for mono- and multi-layer graphene systems with AB- and ABC-stacking. Considering an air/graphene/dielectric-water structure, the optical coefficients for those graphene systems are examined and compared. The universal optical conductance sigma(N)(0)=N pi e(2)/(2h) for N layer graphene systems in the visible region is verified. For N 3 layer graphene, the mini-gap induced absorption edges can be observed in odd layers AB-stacked multilayer graphene, where the number and position of the absorption edges are decided by the layers number N. Meanwhile, we can observe the optical absorption windows for those graphene systems in the infrared to terahertz bandwidth (0.2-150 THz). The absorption window is induced by different transition energies required for inter- and intra-band optical absorption channels. We find that the depth and width of the absorption window can be tuned not only via varying temperature and electron density but also by changing the number of graphene layers and the stacking order. These theoretical findings demonstrate that mono- and multi-layer graphene systems can be applied as frequency tunable optoelectronic devices working in infrared to terahertz bandwidth. (C) 2014 Elsevier B.V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000336970000022 |
Publication Date |
2014-05-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0030-4018; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.588 |
Times cited |
7 |
Open Access |
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Notes |
; This work was supported by the Ministry of Science and Technology of China (Grant no, 2011YQ130018), Department of Science and Technology of Yunnan Province, and by the Chinese Academy of Sciences. ; |
Approved |
Most recent IF: 1.588; 2014 IF: 1.449 |
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Call Number |
UA @ lucian @ c:irua:118364 |
Serial |
1666 |
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Permanent link to this record |
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Author |
Lu, J.; Roeffaers, M.B.J.; Bartholomeeusen, E.; Sels, B.F.; Schryvers, D. |
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Title |
Intergrowth of components and ramps in coffin-shaped ZSM-5 zeolite crystals unraveled by focused ion beam-assisted transmission electron microscopy |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Microscopy and microanalysis |
Abbreviated Journal |
Microsc Microanal |
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Volume |
20 |
Issue |
1 |
Pages |
42-49 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Scanning electron microscopy, focused ion beam (FIB), and transmission electron microscopy are combined to study the intergrowth of 90 degrees rotational components and of ramps in coffin-shaped ZSM-5 crystals. The 90 degrees rotational boundaries with local zig-zag features between different intergrowth components are observed in the main part of crystal. Also a new kind of displacement boundary is described. At the displacement boundary there is a shift of the unit cells along the boundary without a change in orientation. Based on lamellae prepared with FIB from different positions of the ramps and crystal, the orientation relationships between ramps and the main part of the crystal are studied and the three-dimensional morphology and growth mechanism of the ramp are illustrated. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge, Mass. |
Editor |
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Language |
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Wos |
000335378400006 |
Publication Date |
2013-11-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1431-9276;1435-8115; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.891 |
Times cited |
7 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.891; 2014 IF: 1.877 |
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Call Number |
UA @ lucian @ c:irua:117688 |
Serial |
1697 |
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Permanent link to this record |
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Author |
Neyts, E.C.; Bogaerts, A. |
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Title |
Ion irradiation for improved graphene network formation in carbon nanotube growth |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
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Volume |
77 |
Issue |
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Pages |
790-795 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Ion irradiation of carbon nanotubes very often leads to defect formation. However, we have recently shown that Ar ion irradiation in a limited energy window of 1025 eV may enhance the initial cap nucleation process, when the carbon network is in contact with the metal nanocatalyst. Here, we employ reactive molecular dynamics simulations to demonstrate that ion irradiation in a higher energy window of 1035 eV may also heal network defects after the nucleation stage through a non-metal-mediated mechanism, when the carbon network is no longer in contact with the metal nanocatalyst. The results demonstrate the possibility of beneficially utilizing ions in e.g. plasma-enhanced chemical vapour deposition of carbon nanotubes. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Oxford |
Editor |
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Language |
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Wos |
000340689400083 |
Publication Date |
2014-06-11 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0008-6223; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.337 |
Times cited |
7 |
Open Access |
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Notes |
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Approved |
Most recent IF: 6.337; 2014 IF: 6.196 |
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Call Number |
UA @ lucian @ c:irua:118062 |
Serial |
1745 |
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Permanent link to this record |
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Author |
Zha, G.-Q.; Covaci, L.; Peeters, F.M.; Zhou, S.-P. |
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Title |
Majorana fermion states and fractional flux periodicity in mesoscopic d-wave superconducting loops with spin-orbit interaction |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
90 |
Issue |
1 |
Pages |
014522 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We numerically investigate the spin-orbit (SO) coupling effect on the magnetic flux evolution of energy and supercurrent in mesoscopic d-wave superconducting loops by solving the spin-generalized Bogoliubov-de Gennes equations self-consistently. It is found that the energy spectrum splits when the SO interaction is involved and the Majorana zero mode can be realized in the [100] edges of square systems for an appropriate SO coupling strength. Superconducting phase transitions appear when the energy gap closes, accompanied by energy jumps between different energy parabolas in the ground state, which provides a possible mechanism to support fractional flux periodicity of supercurrent. Moreover, in the case of rectangular loops with SO coupling, the jumps of the ground-state energy gradually disappear by increasing the ratio of length to height of the sample, and a paramagnetic response with opposite direction of the screening current around zero flux value can occur in such systems. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000341233800010 |
Publication Date |
2014-07-31 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
3.836 |
Times cited |
7 |
Open Access |
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Notes |
; This work was supported by National Natural Science Foundation of China under Grants No. 61371020 and No. 61271163, by Visiting Scholar Program of Shanghai Municipal Education Commission, by Innovation Program of Shanghai Municipal Education Commission under Grant No. 13YZ006, and by the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
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Call Number |
UA @ lucian @ c:irua:119266 |
Serial |
1938 |
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Permanent link to this record |
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Author |
Mikhailova, D.; Reichel, P.; Tsirlin, A.A.; Abakumov, A.M.; Senyshyn, A.; Mogare, K.M.; Schmidt, M.; Kuo, C.Y.; Pao, C.W.; Pi, T.W.; Lee, J.F.; Hu, Z.; Tjeng, L.H.; |
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Title |
Oxygen-driven competition between low-dimensional structures of Sr3CoMO6 and Sr3CoMO7-\delta with M = Ru,Ir |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Journal of the Chemical Society : Dalton transactions |
Abbreviated Journal |
Dalton T |
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Volume |
43 |
Issue |
37 |
Pages |
13883-13891 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We have realized a reversible structure transformation of one-dimensional 1D K4CdCl6-type Sr3CoMO6 with the Co2+/M4+ cation ordering into the two-dimensional 2D double layered Ruddlesden-Popper structure Sr3CoMO7-delta with a random distribution of Co and M (with M = Ru, Ir) upon increasing the partial oxygen pressure. The combined soft and hard X-ray absorption spectroscopy studies show that under transformation, Co and M cations were oxidized to Co3+ and M5+. During oxidation, high-spin Co2+ in Sr3CoMO6 first transforms into high-spin Co3+ in oxygen-deficient Sr3CoMO7-delta, and then further transforms into low-spin Co3+ in fully oxidized Sr3CoMO7 upon further increasing the partial pressure of oxygen. The 1D Sr3CoMO6 compound is magnetically ordered at low temperatures with the magnetic moments lying along the c-axis. Their alignment is parallel for Sr3CoRuO6 and antiparallel for Sr3CoIrO6. The 2D compounds reveal a spin-glass-like behavior related to the random distribution of magnetic cations in the structure. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000342074100009 |
Publication Date |
2014-07-28 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
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ISSN |
1477-9226;1477-9234; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.029 |
Times cited |
7 |
Open Access |
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Notes |
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Approved |
Most recent IF: 4.029; 2014 IF: 4.197 |
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Call Number |
UA @ lucian @ c:irua:119960 |
Serial |
2545 |
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Permanent link to this record |
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Author |
Idrissi, H.; Amin-Ahmadi, B.; Wang, B.; Schryvers, D. |
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Title |
Review on TEM analysis of growth twins in nanocrystalline palladium thin films : toward better understanding of twin-related mechanisms in high stacking fault energy metals |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Physica status solidi: B: basic research |
Abbreviated Journal |
Phys Status Solidi B |
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Volume |
251 |
Issue |
6 |
Pages |
1111-1124 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Various modes of transmission electron microscopy including aberration corrected imaging were used in order to unravel the fundamental mechanisms controlling the formation of growth twins and the evolution of twin boundaries under mechanical and hydrogen loading modes in nanocrystalline (nc) palladium thin films. The latter were produced by electron-beam evaporation and sputter deposition and subjected to uniaxial tensile deformation as well as hydriding/dehydriding cycles. The results show that the twins form by dissociation of grain boundaries. The coherency of Σ3{111} coherent twin boundaries considerably decreases with deformation due to dislocation/twin boundary interactions while Σ3{112} incoherent twin boundaries dissociate under hydrogen cycling into two-phase boundaries bounding a new and unstable 9R phase. The effect of these elementary mechanisms on the macroscopic behavior of the palladium films is discussed and compared to recent experimental and simulation works in the literature. The results provide insightful information to guide the production of well-controlled population of growth twins in high stacking fault energy nc metallic thin films. The results also indicate directions for further enhancement of the mechanical properties of palladium films as needed for instance in palladium-based membranes in hydrogen applications. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Berlin |
Editor |
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Language |
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Wos |
000337608600001 |
Publication Date |
2014-02-17 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0370-1972; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.674 |
Times cited |
7 |
Open Access |
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Notes |
Iap P7/21; Fwo G012012n |
Approved |
Most recent IF: 1.674; 2014 IF: 1.489 |
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Call Number |
UA @ lucian @ c:irua:114580 |
Serial |
2905 |
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Permanent link to this record |
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Author |
Bothner, D.; Seidl, R.; Misko, V.R.; Kleiner, R.; Koelle, D.; Kemmler, M. |
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Title |
Unusual commensurability effects in quasiperiodic pinning arrays induced by local inhomogeneities of the pinning site density |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Superconductor science and technology |
Abbreviated Journal |
Supercond Sci Tech |
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Volume |
27 |
Issue |
6 |
Pages |
065002 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We experimentally investigate the magnetic field dependence of the critical current I-c(B) of superconducting niobium thin films patterned with periodic and quasiperiodic antidot arrays on the submicron scale. For this purpose we monitor current-voltage characteristics at different values of B and temperature T. We investigate samples with antidots positioned at the vertices of two different tilings with quasiperiodic symmetry, namely the Shield Tiling and the Tuebingen Triangle Tiling. For reference we investigate a sample with a triangular antidot lattice. We find modulations of the critical current for both quasiperiodic tilings, which have partly been predicted by numerical simulations but not observed in experiments yet. The particularity of these commensurability effects is that they correspond to magnetic field values slightly above an integer multiple of the matching field. The observed matching effects can be explained by the caging of interstitial vortices in quasiperiodically distributed cages and the formation of symmetry-induced giant vortices. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000336494900003 |
Publication Date |
2014-04-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0953-2048;1361-6668; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.878 |
Times cited |
7 |
Open Access |
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Notes |
; This work has been supported by the European Research Council via SOCATHES and by the Deutsche Forschungsgemeinschaft via the SFB/TRR 21. DB gratefully acknowledges support by the Evangelisches Studienwerk e.V. Villigst. MK gratefully acknowledges support by the Carl-Zeiss Stiftung. VRM gratefully acknowledges support by the 'Odysseus' Program of the Flemish Government and the Flemish Science Foundation (FWO-VI). The authors thank Franco Nori for fruitful discussions on quasiperiodic pinning arrays. ; |
Approved |
Most recent IF: 2.878; 2014 IF: 2.325 |
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Call Number |
UA @ lucian @ c:irua:117763 |
Serial |
3817 |
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Permanent link to this record |
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Author |
Becker, T.; Nelissen, K.; Cleuren, B.; Partoens, B.; Van den Broeck, C. |
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Title |
Diffusion of interacting particles in discrete geometries: Equilibrium and dynamical properties |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Physical review : E : statistical, nonlinear, and soft matter physics |
Abbreviated Journal |
Phys Rev E |
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Volume |
90 |
Issue |
5 |
Pages |
052139 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We expand on a recent study of a lattice model of interacting particles [Phys. Rev. Lett. 111, 110601 (2013)]. The adsorption isotherm and equilibrium fluctuations in particle number are discussed as a function of the interaction. Their behavior is similar to that of interacting particles in porous materials. Different expressions for the particle jump rates are derived from transition-state theory. Which expression should be used depends on the strength of the interparticle interactions. Analytical expressions for the self-and transport diffusion are derived when correlations, caused by memory effects in the environment, are neglected. The diffusive behavior is studied numerically with kinetic Monte Carlo (kMC) simulations, which reproduces the diffusion including correlations. The effect of correlations is studied by comparing the analytical expressions with the kMC simulations. It is found that the Maxwell-Stefan diffusion can exceed the self-diffusion. To our knowledge, this is the first time this is observed. The diffusive behavior in one-dimensional and higher-dimensional systems is qualitatively the same, with the effect of correlations decreasing for increasing dimension. The length dependence of both the self-and transport diffusion is studied for one-dimensional systems. For long lengths the self-diffusion shows a 1/L dependence. Finally, we discuss when agreement with experiments and simulations can be expected. The assumption that particles in different cavities do not interact is expected to hold quantitatively at low and medium particle concentrations if the particles are not strongly interacting. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
Woodbury (NY) |
Editor |
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Language |
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Wos |
000345251500004 |
Publication Date |
2014-12-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1539-3755;1550-2376; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.366 |
Times cited |
8 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (Fonds Wetenschappelijk Onderzoek), Project No. G.0388.11. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government, Department EWI. ; |
Approved |
Most recent IF: 2.366; 2014 IF: 2.288 |
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Call Number |
UA @ lucian @ c:irua:122134 |
Serial |
700 |
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Permanent link to this record |
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Author |
Ghosh, S.; Tongay, S.; Hebard, A.F.; Sahin, H.; Peeters, F.M. |
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Title |
Ferromagnetism in stacked bilayers of Pd/C60 |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Journal of magnetism and magnetic materials |
Abbreviated Journal |
J Magn Magn Mater |
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Volume |
349 |
Issue |
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Pages |
128-134 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We provide experimental evidence for the existence of ferromagnetism in bilayers of Pd/C-60 which is supported by theoretical calculations based on density functional theory (DFT). The observed ferromagnetism is surprising as C-60 and Pd films are both non-ferromagnetic in the non-interacting limit. Magnetization (M) versus applied field (H) data acquired at different temperatures (T) show magnetic hysteresis with typical coercive fields (H-c) on the order of 50 Oe. From the temperature-dependent magnetization M(T) we extract a Curie temperature (T-c >= 550 K) using Bloch-like power law extrapolations to high temperatures. Using DFT calculations we investigated all plausible scenarios for the interaction between the C-60 molecules and the Pd slabs, Pd single atoms and Pd clusters. DFT shows that while the C-60 molecules are nonmagnetic, Pd films have a degenerate ground state that subject to a weak perturbation, can become ferromagnetic. Calculations also show that the interaction of C-60 molecules with excess Pd atoms and with sharp edges of a Pd slab is the most likely configuration that render the system ferromagnetic Interestingly, the calculated charge transfer (0.016 e per surface Pd atom, 0.064 e per Pd for intimate contact region) between C-60 and Pd does not appear to play an important role. (C) 2013 Elsevier B.V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000326037600022 |
Publication Date |
2013-08-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0304-8853; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.63 |
Times cited |
8 |
Open Access |
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Notes |
; We thank Prof. Amlan Biswas and Daniel Grant for Atomic Force Microscopy measurements. This work is supported by the National Science Foundation (NSF) under Contract Number 1005301 (AFH). The authors also thank S. Ciraci for fruitful discussions. All the computational resources have been provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H. Sahin is also supported by a FWO Pegasus Marie Curie Long Fellowship during the study. ; |
Approved |
Most recent IF: 2.63; 2014 IF: 1.970 |
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Call Number |
UA @ lucian @ c:irua:112214 |
Serial |
1184 |
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Permanent link to this record |
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Author |
Wen, D.-Q.; Zhang, Q.-Z.; Jiang, W.; Song, U.-H.; Bogaerts, A.; Wang, Y.-N. |
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Title |
Phase modulation in pulsed dual-frequency capacitively coupled plasmas |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
115 |
Issue |
23 |
Pages |
233303 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Particle-in-cell/Monte Carlo collision simulations, coupled with an external circuit, are used to investigate the behavior of pulsed dual-frequency (DF) capacitively coupled plasmas (CCPs). It is found that the phase shift θ between the high (or low) frequency source and the pulse modulation has a great influence on the ion density and the ionization rate. By pulsing the high frequency source, the time-averaged ion density shows a maximum when θ = 90∘. The time-averaged ion energy distribution functions (IEDFs) at the driven electrode, however, keep almost unchanged, illustrating the potential of pulsed DF-CCP for independent control of ion density (and flux) and ion energy. A detailed investigation of the temporal evolution of the plasma characteristics indicates that several high frequency harmonics can be excited at the initial stage of a pulse period by tuning the phase shift θ, and this gives rise to strong sheath oscillations, and therefore high ionization rates. For comparison, the pulsing of the low frequency source is also studied. In this case, the ion density changes slightly as a function of time, and the time-averaged ion density shows the same trend as in the HF modulation for different phase shifts θ. Moreover, the time-averaged IEDFs at the driven electrode can be modulated, showing the potential to reduce the maximum ion bombardment energy. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000338106000008 |
Publication Date |
2014-06-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0021-8979;1089-7550; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.068 |
Times cited |
8 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.068; 2014 IF: 2.183 |
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Call Number |
UA @ lucian @ c:irua:117415 |
Serial |
2585 |
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Permanent link to this record |
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Author |
Kundu, S.; Kundu, P.; Van Tendeloo, G.; Ravishankar, N. |
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Title |
Au2Sx/CdS nanorods by cation exchange : mechanistic insights into the competition between cation-exchange and metal ion reduction |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Small |
Abbreviated Journal |
Small |
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Volume |
10 |
Issue |
19 |
Pages |
3895-3900 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Thumbnail image of graphical abstract It is well known that metals with higher electron affinity like Au tend to undergo reduction rather than cation-exchange. It is experimentally shown that under certain conditions cation-exchange is dominant over reduction. Thermodynamic calculation further consolidates the understanding and paves the way for better predictability of cation-exchange/reduction reactions for other systems. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Weinheim |
Editor |
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Language |
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Wos |
000344451900011 |
Publication Date |
2014-06-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1613-6810; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.643 |
Times cited |
8 |
Open Access |
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Notes |
countatoms |
Approved |
Most recent IF: 8.643; 2014 IF: 8.368 |
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Call Number |
UA @ lucian @ c:irua:118010 |
Serial |
3514 |
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Permanent link to this record |
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Author |
Setareh, M.; Farnia, M.; Maghari, A.; Bogaerts, A. |
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Title |
CF4 decomposition in a low-pressure ICP : influence of applied power and O2 content |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
47 |
Issue |
35 |
Pages |
355205 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
This paper focuses on the investigation of CF4 decomposition in a low-pressure inductively coupled plasma by means of a global model. The influence of O2 on the CF4 decomposition process is studied for conditions used in semiconductor manufacturing processes. The model is applied for different powers and O2 contents ranging between 2% and 98% in the CF4/O2 gas mixture. The model includes the reaction mechanisms in the gas phase coupled with the surface reactions and sticking probabilities of the species at the walls. The calculation results are first compared with experimental results from the literature (for the electron density, temperature and F atom density) at a specific power, in the entire range of CF4/O2 gas mixture ratios, and the obtained agreements indicate the validity of the model. The main products of the gas mixture, obtained from this model, include CO, CO2 and COF2 together with a low fraction of F2. The most effective reactions for the formation and loss of the various species in this process are also determined in detail. Decomposition of CF4 produces mostly CF3 and F radicals. These radicals also contribute to the backward reactions, forming again CF4. This study reveals that the maximum decomposition efficiency of CF4 is achieved at a CF4/O2 ratio equal to 1, at the applied power of 300 W. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000341353800017 |
Publication Date |
2014-08-15 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727;1361-6463; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
8 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.588; 2014 IF: 2.721 |
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Call Number |
UA @ lucian @ c:irua:118327 |
Serial |
3521 |
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Permanent link to this record |
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Author |
Lamas, J.S.; Leroy, W.P.; Lu, Y.-G.; Verbeeck, J.; Van Tendeloo, G.; Depla, D. |
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Title |
Using the macroscopic scale to predict the nano-scale behavior of YSZ thin films |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Surface and coatings technology |
Abbreviated Journal |
Surf Coat Tech |
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Volume |
238 |
Issue |
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Pages |
45-50 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
In this work, Yttria-stabilized zirconia (YSZ) thin films were deposited using dual reactive magnetron sputtering. By varying the deposition conditions, the film morphology and texture of the thin films are tuned and biaxial alignment is obtained. Studying the crystallographic and microstructural properties of the YSZ thin films, a tilted columnar growth was identified. This tilt is shown to be dependent on the compositional gradient of the sample. The variation of composition within a single YSZ column measured via STEM-EDX is demonstrated to be equal to the macroscopic variation on a full YSZ sample when deposited under the same deposition parameters. A simple stress model was developed to predict the tilt of the growing columns. The results indicate that this model not only determines the column bending of the growing film but also confirms that a macroscopic approach is sufficient to determine the compositional gradient in a single column of the YSZ thin films. (C) 2013 Elsevier B.V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lausanne |
Editor |
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Language |
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Wos |
000331028200005 |
Publication Date |
2013-10-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0257-8972; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.589 |
Times cited |
8 |
Open Access |
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Notes |
246791 Countatoms; 278510 Vortex;Nmp3-La-2010-246102 Ifox; 312483 Esteem2; esteem2jra3 ECASJO; |
Approved |
Most recent IF: 2.589; 2014 IF: 1.998 |
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Call Number |
UA @ lucian @ c:irua:115765 |
Serial |
3827 |
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Permanent link to this record |
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Author |
Roose, D.; Leroux, F.; De Vocht, N.; Guglielmetti, C.; Pintelon, I.; Adriaensen, D.; Ponsaerts, P.; Van der Linden, A.; Bals, S. |
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Title |
Multimodal imaging of micron-sized iron oxide particles following in vitro and in vivo uptake by stem cells: down to the nanometer scale |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
Contrast Media & Molecular Imaging |
Abbreviated Journal |
Contrast Media Mol I |
|
|
Volume |
9 |
Issue |
6 |
Pages |
400-408 |
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Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
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Abstract |
In this study, the interaction between cells and micron-sized paramagnetic iron oxide (MPIO) particles was investigated by characterizing MPIO in their original state, and after cellular uptake in vitro as well as in vivo. Moreover, MPIO in the olfactory bulb were studied 9 months after injection. Using various imaging techniques, cell-MPIO interactions were investigated with increasing spatial resolution. Live cell confocal microscopy demonstrated that MPIO co-localize with lysosomes after in vitro cellular uptake. In more detail, a membrane surrounding the MPIO was observed by high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM). Following MPIO uptake in vivo, the same cell-MPIO interaction was observed by HAADF-STEM in the subventricular zone at 1 week and in the olfactory bulb at 9 months after MPIO injection. These findings provide proof for the current hypothesis that MPIO are internalized by the cell through endocytosis. The results also show MPIO are not biodegradable, even after 9 months in the brain. Moreover, they show the possibility of HAADF-STEM generating information on the labeled cell as well as on the MPIO. In summary, the methodology presented here provides a systematic route to investigate the interaction between cells and nanoparticles from the micrometer level down to the nanometer level and beyond. |
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Address |
EMAT, University of Antwerp, Antwerp, Belgium; Bio-Imaging Lab, University of Antwerp, Antwerp, Belgium; Laboratory of Experimental Hematology, University of Antwerp, Antwerp, Belgium |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
English |
Wos |
000346172100002 |
Publication Date |
2014-04-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1555-4309; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.307 |
Times cited |
8 |
Open Access |
Not_Open_Access |
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|
Notes |
IAP-PAI; 262348 ESMI; Hercules Type 1: AUHA 09/001 and AUHA 11/01 |
Approved |
Most recent IF: 3.307; 2014 IF: 2.923 |
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Call Number |
UA @ lucian @ |
Serial |
3938 |
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Permanent link to this record |
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Author |
Mees, M.J.; Pourtois, G.; Rosciano, F.; Put, B.; Vereecken, P.M.; Stesmans, A. |
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Title |
First-principles material modeling of solid-state electrolytes with the spinel structure |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
|
Issue |
|
Pages |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Ionic diffusion through the novel (AlxMg1-2xLix)Al2O4 spinel electrolyte is investigated using first-principles calculations, combined with the Kinetic Monte Carlo algorithm. We observe that the ionic diffusion increases with the lithium content x. Furthermore, the structural parameters, formation enthalpies and electronic structures of (AlxMg1-2xLix)Al2O4 are calculated for various stoichiometries. The overall results indicate the (AlxMg1-2xLix)Al2O4 stoichiometries x = 0.2...0.3 as most promising. The (AlxMg1-2xLix)Al2O4 electrolyte is a potential candidate for the all-spinel solid-state battery stack, with the material epitaxially grown between well-known spinel electrodes, such as LiyMn2O4 and Li4+3yTi5O12 (y = 0...1). Due to their identical crystal structure, a good electrolyte-electrode interface is expected. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
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Language |
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Wos |
000332395700048 |
Publication Date |
2014-02-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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ISSN |
1463-9076; 1463-9084 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.123 |
Times cited |
8 |
Open Access |
|
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|
Notes |
|
Approved |
Most recent IF: 4.123; 2014 IF: 4.493 |
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Call Number |
UA @ lucian @ c:irua:128893 |
Serial |
4520 |
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Permanent link to this record |
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Author |
Verhulst, A.S.; Verreck, D.; Pourghaderi, M.A.; Van de Put, M.; Sorée, B.; Groeseneken, G.; Collaert, N.; Thean, A.V.-Y. |
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Title |
Can p-channel tunnel field-effect transistors perform as good as n-channel? |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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Volume |
105 |
Issue |
4 |
Pages |
043103 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We show that bulk semiconductor materials do not allow perfectly complementary p- and n-channel tunnel field-effect transistors (TFETs), due to the presence of a heavy-hole band. When tunneling in p-TFETs is oriented towards the gate-dielectric, field-induced quantum confinement results in a highest-energy subband which is heavy-hole like. In direct-bandgap IIIV materials, the most promising TFET materials, phonon-assisted tunneling to this subband degrades the subthreshold swing and leads to at least 10x smaller on-current than the desired ballistic on-current. This is demonstrated with quantum-mechanical predictions for p-TFETs with tunneling orthogonal to the gate, made out of InP, In0.53Ga0.47As, InAs, and a modified version of In0.53Ga0.47As with an artificially increased conduction-band density-of-states. We further show that even if the phonon-assisted current would be negligible, the build-up of a heavy-hole-based inversion layer prevents efficient ballistic tunneling, especially at low supply voltages. For p-TFET, a strongly confined n-i-p or n-p-i-p configuration is therefore recommended, as well as a tensily strained line-tunneling configuration. (C) 2014 AIP Publishing LLC. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000341152600067 |
Publication Date |
2014-07-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-6951; 1077-3118 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.411 |
Times cited |
8 |
Open Access |
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Notes |
; This work was supported by imec's industrial application program. D. Verreck acknowledges the support of a Ph.D. stipend from the Institute for Promotion of Innovation through Science and Technology in Flanders (IWT). ; |
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
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Call Number |
UA @ lucian @ c:irua:134433 |
Serial |
4587 |
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Permanent link to this record |
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Author |
Partoens, B. |
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Title |
Spinorbit interactions : hide and seek |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Nature physics |
Abbreviated Journal |
Nat Phys |
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Volume |
10 |
Issue |
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Pages |
333-334 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
It is commonly believed that solids with spatial inversion symmetry do not display spinorbit effects. However, first-principles calculations now reveal unexpected spin structure for centrosymmetric crystals |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000335371200003 |
Publication Date |
2014-04-11 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
1745-2473; 1745-2481 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
22.806 |
Times cited |
8 |
Open Access |
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Notes |
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Approved |
Most recent IF: 22.806; 2014 IF: 20.147 |
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Call Number |
UA @ lucian @ c:irua:141068 |
Serial |
4608 |
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Permanent link to this record |
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Author |
Kuppens, T.; Van Dael, M.; Vanreppelen, K.; Carleer, R.; Yperman, J.; Schreurs, S.; Van Passel, S. |
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Title |
Techno-economic assessment of pyrolysis char production and application : a review |
Type |
P1 Proceeding |
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Year |
2014 |
Publication |
|
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
67-72 |
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Keywords |
P1 Proceeding; Engineering sciences. Technology |
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Abstract |
Many organic residue streams such as pig manure are not or inefficiently used, although they can be converted into valuable materials, as well as energy, using pyrolysis. The yield of the pyrolysis products (i.e. oil, gas and char) is dependent on the process conditions and the feedstock used. Char as a soil amendment or activated carbon are interesting options for valorization of biomass residues. Here, a review is presented of the techno-economic potential of both valorization options based on literature and own experiments with wood from phytoremediation, particle board and waste from beer production. The term “biochar” is specifically used to designate pyrolysis char that is intentionally applied to soil in order to enhance its structure and fertility. Biochar applications are often also motivated by the objective of climate change mitigation. Two main disadvantages for the economic feasibility of biochar applications have been discerned. Firstly, carbon sequestration in agricultural crops and soils is not yet eligible under the Clean Development Mechanism. Secondly, the impact of biochar on crop productivity is unclear. Activated carbon (AC) seems to have interesting adsorption characteristics resulting in potentially high sales prices. A preliminary techno-economic assessment showed that AC production is preferred above oil production for wood from phytoremediation as long as the market price of 2 kEUR.t(-1) for commercially available ACs can be attained. Whenever a feedstock with high nitrogen content is available (e.g. particle board with melamine urea formaldehyde resin), even higher market prices might be attained. This study shows that valorization of the pyrolysis char might be an answer to the slow adoption of pyrolysis in commercial applications. Focus in research and development, for instance in future research with regard to pig manure valorization, should therefore be on sustainable products with high economic value and direct utilization potential. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000346540000012 |
Publication Date |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
International Conference on BioMass (iconBM 2014), 4-7 May 2014, Florence, Italy / Ranzi, Eliseo [edit.]; et al. |
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Series Volume |
37 |
Series Issue |
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Edition |
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ISSN |
978-88-95608-28-0 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
8 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:127547 |
Serial |
6265 |
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Permanent link to this record |
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Author |
Niermann, T.; Verbeeck, J.; Lehmann, M. |
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Title |
Creating arrays of electron vortices |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
136 |
Issue |
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Pages |
165-170 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We demonstrate the production of an ordered array of electron vortices making use of an electron optical setup consisting of two electrostatic biprisms. The biprism filaments are oriented nearly orthogonal with respect to each other in a transmission electron microscope. Matching the position of the filaments, we can choose to form different topological features in the electron wave. We outline the working principle of the setup and demonstrate fist experimental results. This setup partially bridges the gap between angular momentum carried by electron spin, which is intrinsic and therefore present in any position of the wave, and angular momentum carried by the vortex character of the wave, which can be extrinsic depending on the axis around which it is measured. (C) 2013 Elsevier B.V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000327884700021 |
Publication Date |
2013-10-15 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
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|
ISSN |
0304-3991; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.843 |
Times cited |
9 |
Open Access |
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Notes |
FP7; Countatoms; Vortex ECASJO_; |
Approved |
Most recent IF: 2.843; 2014 IF: 2.436 |
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Call Number |
UA @ lucian @ c:irua:112837UA @ admin @ c:irua:112837 |
Serial |
538 |
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Permanent link to this record |
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Author |
Boulay, E.; Nakano, J.; Turner, S.; Idrissi, H.; Schryvers, D.; Godet, S. |
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Title |
Critical assessments and thermodynamic modeling of BaO-SiO2 and SiO2-TiO2 systems and their extensions into liquid immiscibility in the BaO-SiO2-TiO2 system |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Calphad computer coupling of phase diagrams and thermochemistry |
Abbreviated Journal |
Calphad |
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Volume |
47 |
Issue |
|
Pages |
68-82 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
This study discusses rational reproduction of liquid immiscibility in the BaO-SiO2-TiO2 system. While a ternary assessment requires sub-binary descriptions in the same thermodynamic model, the related sub-binary systems BaO-SiO2, BaO-TiO2 and SiO2-TiO2 liquid and solid phases have been evaluated using different thermodynamic models in the literature. In this study, BaO-SiO2 and SiO2-TiO2 were assessed using the Ionic Two Sublattice model (I2SL) based on experimental data from the literature. BaO-TiO2 was already assessed using this model. Binary descriptions developed were then used for the assessment of liquid immiscibility in the BaO-SiO2-TiO2 system. Ternary interaction parameters were found necessary for rational reproduction of the new ternary experimental data gathered in the present work. The model parameters for each system were evaluated using a CAPLHAD approach. A set of parameters is proposed. They show good agreement between the calculated and experimental equilibrium liquidus, liquid immiscibility and thermochemical properties in the BaO-SiO2-TiO2 system. (C) 2014 Elsevier Ltd. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Oxford |
Editor |
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Language |
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Wos |
000346224700008 |
Publication Date |
2014-07-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0364-5916; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.6 |
Times cited |
9 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 1.6; 2014 IF: 1.370 |
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Call Number |
UA @ lucian @ c:irua:122776 |
Serial |
540 |
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Permanent link to this record |
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Author |
van den Broek, B.; Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. |
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Title |
Current-voltage characteristics of armchair Sn nanoribbons |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Physica status solidi: rapid research letters |
Abbreviated Journal |
Phys Status Solidi-R |
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Volume |
8 |
Issue |
11 |
Pages |
931-934 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Two-dimensional group-IV lattices silicene and germanene are known to share many of graphene's remarkable mechanical and electronic properties. Due to the out-of-plane buckling of the former materials, there are more means of electronic funtionalization, e.g. by applying uniaxial strain or an out-of-plane electric field. We consider monolayer hexagonal Sn (stanene) as an ideal candidate to feasibly implement and exploit graphene physics for nanoelectronic applications: with increased out-of-plane buckling and sizable spin-orbit coupling it lends itself to improved Dirac cone engineering. We investigate the ballistic charge transport regime of armchair Sn nanoribbons, classified according to the ribbon width W = {3m – 1, 3m, 3m + 1} with integer m. We study transport through (non-magnetic) armchair ribbons using a combination of density functional theory and non-equilibrium Green's functions. Sn ribbons have earlier current onsets and carry currents 20% larger than C/Si/Ge-nanoribbons as the contact resistance of these ribbons is found to be comparable. ((c) 2014 WILEY-VCH Verlag GmbH &Co. KGaA, Weinheim) |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Berlin |
Editor |
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Language |
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Wos |
000345274300009 |
Publication Date |
2014-09-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1862-6254; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.032 |
Times cited |
9 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 3.032; 2014 IF: 2.142 |
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Call Number |
UA @ lucian @ c:irua:122148 |
Serial |
594 |
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Permanent link to this record |
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Author |
Galvan-Moya, J.E.; Misko, V.R.; Peeters, F.M. |
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Title |
Generic ordering of structural transitions in quasi-one-dimensional Wigner crystals |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
90 |
Issue |
9 |
Pages |
094111 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We investigate the dependence of the structural phase transitions in an infinite quasi-one-dimensional system of repulsively interacting particles on the profile of the confining channel. Three different functional expressions for the confinement potential related to real experimental systems are used that can be tuned continuously from a parabolic to a hard-wall potential in order to find a thorough understanding of the ordering of the chainlike structure transitions. We resolve the long-standing issue why the most theories predicted a 1-2-4-3-4 sequence of chain configurations with increasing density, while some experiments found the 1-2-3-4 sequence. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000342127000001 |
Publication Date |
2014-09-17 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
9 |
Open Access |
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|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-VI) and the Odysseus and Methusalem programmes of the Flemish government. Computational resources were provided by HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC). ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
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Call Number |
UA @ lucian @ c:irua:119904 |
Serial |
1326 |
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Permanent link to this record |
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Author |
Zhang, Q.-Z.; Wang, Y.-N.; Bogaerts, A. |
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Title |
Heating mode transition in a hybrid direct current/dual-frequency capacitively coupled CF4 discharge |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
115 |
Issue |
22 |
Pages |
223302-223306 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Computer simulations based on the particle-in-cell/Monte Carlo collision method are performed to study the plasma characteristics and especially the transition in electron heating mechanisms in a hybrid direct current (dc)/dual-frequency (DF) capacitively coupled CF 4 discharge. When applying a superposed dc voltage, the plasma density first increases, then decreases, and finally increases again, which is in good agreement with experiments. This trend can be explained by the transition between the four main heating modes, i.e., DF coupling, dc and DF coupling, dc source dominant heating, and secondary electron dominant heating. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000337891800006 |
Publication Date |
2014-06-11 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0021-8979;1089-7550; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.068 |
Times cited |
9 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.068; 2014 IF: 2.183 |
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Call Number |
UA @ lucian @ c:irua:117347 |
Serial |
1414 |
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Permanent link to this record |