Records |
Author |
Nakhaee, M.; Ketabi, S.A.; Peeters, F.M. |
Title |
Dirac nodal line in bilayer borophene : tight-binding model and low-energy effective Hamiltonian |
Type |
A1 Journal article |
Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
Volume |
98 |
Issue |
11 |
Pages |
115413 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Bilayer hexagonal borophene, which is bound together through pillars, is a novel topological semimetal. Using density functional theory, we investigate its electronic band structure and show that it is a Dirac material which exhibits a nodal line. A tight-binding model was constructed based on the Slater-Koster approach, which accurately models the electronic spectrum. We constructed an effective four-band model Hamiltonian to describe the spectrum near the nodal line. This Hamiltonian can be used as a new platform to study the new properties of nodal line semimetals. We found that the nodal line is created by edge states and is very robust against perturbations and impurities. Breaking symmetries can split the nodal line, but cannot open a gap. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000443916200007 |
Publication Date |
2018-09-06 |
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 |
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
19 |
Open Access |
|
Notes ![sorted by Notes field, descending order (down)](img/sort_desc.gif) |
; This work was supported by the Methusalem program of the Flemish government and the graphene FLAG-ERA project TRANS-2D-TMD. ; |
Approved |
Most recent IF: 3.836 |
Call Number |
UA @ lucian @ c:irua:153649UA @ admin @ c:irua:153649 |
Serial |
5090 |
Permanent link to this record |
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Author |
Zhang, L.-F.; Covaci, L.; Milošević, M.V.; Berdiyorov, G.R.; Peeters, F.M. |
Title |
Vortex states in nanoscale superconducting squares : the influence of quantum confinement |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
88 |
Issue |
14 |
Pages |
144501 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Bogoliubov-de Gennes theory is used to investigate the effect of the size of a superconducting square on the vortex states in the quantum confinement regime. When the superconducting coherence length is comparable to the Fermi wavelength, the shape resonances of the superconducting order parameter have strong influence on the vortex configuration. Several unconventional vortex states, including asymmetric ones, giant-multivortex combinations, and states comprising giant antivortices, were found as ground states and their stability was found to be very sensitive on the value of k(F)xi(0), the size of the sample W, and the magnetic flux Phi. By increasing the temperature and/or enlarging the size of the sample, quantum confinement is suppressed and the conventional mesoscopic vortex states as predicted by the Ginzburg-Laudau (GL) theory are recovered. However, contrary to the GL results we found that the states containing symmetry-induced vortex-antivortex pairs are stable over the whole temperature range. It turns out that the inhomogeneous order parameter induced by quantum confinement favors vortex-antivortex molecules, as well as giant vortices with a rich structure in the vortex core-unattainable in the GL domain. |
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 |
000325498300004 |
Publication Date |
2013-10-09 |
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 |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
19 |
Open Access |
|
Notes ![sorted by Notes field, descending order (down)](img/sort_desc.gif) |
; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen) and Methusalem Funding of the Flemish government. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:111145 |
Serial |
3891 |
Permanent link to this record |
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Author |
Nowak, M.P.; Szafran, B.; Peeters, F.M. |
Title |
Fano resonances and electron spin transport through a two-dimensional spin-orbit-coupled quantum ring |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
84 |
Issue |
23 |
Pages |
235319-235319,8 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Electron transport through a spin-orbit-coupled quantum ring is investigated within linear response theory. We show that the finite width of the ring results in the appearance of Fano resonances in the conductance. This turns out to be a consequence of the spin-orbit interaction that leads to a breaking of the parity of the states localized in the ring. The resonances appear when the system is close to maxima of Aharonov-Casher conductance oscillations where spin transfer is heavily modified. When the spin-orbit coupling strength is detuned from the Aharonov-Casher maxima the resonances are broadened resulting in a dependence of the spin transport on the electron Fermi energy in contrast to predictions from one-dimensional models. |
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 |
000298605700002 |
Publication Date |
2011-12-29 |
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 |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
19 |
Open Access |
|
Notes ![sorted by Notes field, descending order (down)](img/sort_desc.gif) |
; This work was supported by the “Krakow Interdisciplinary PhD Project in Nanoscience and Advanced Nanostructures” operated within the Foundation for Polish Science MPD Programme cofinanced by the EU European Regional Development Fund, Project No. N N202103938 supported by the Ministry of Science and Higher Education (MNiSW) for 2010-2013, the Belgian Science Policy (IAP), and the Flemish Science Foundation (FWO-V1). This research was supported in part by PL-Grid Infrastructure. ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
Call Number |
UA @ lucian @ c:irua:94292 |
Serial |
1171 |
Permanent link to this record |
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Author |
Berdiyorov, G.; Harrabi, K.; Maneval, J.P.; Peeters, F.M. |
Title |
Effect of pinning on the response of superconducting strips to an external pulsed current |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Superconductor science and technology |
Abbreviated Journal |
Supercond Sci Tech |
Volume |
28 |
Issue |
28 |
Pages |
025004 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Using the anisotropic time-dependent Ginzburg-Landau theory we study the effect of ordered and disordered pinning on the time response of superconducting strips to an external current that switched on abruptly. The pinning centers result in a considerable delay of the response time of the system to such abrupt switching on of the current, whereas the output voltage is always larger when pinning is present. The resistive state in both cases are characterized either by dynamically stable phase-slip centers/lines or expanding in-time hot-spots, which are the main mechanisms for dissipation in current-carrying superconductors. We find that hot-spots are always initiated by the phase-slip state. However, the range of the applied current for the phase-slip state increases significantly when pinning is introduced. Qualitative changes are observed in the dynamics of the superconducting condensate in the presence of pinning. |
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 |
000351046300010 |
Publication Date |
2014-12-31 |
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 |
|
ISSN |
0953-2048;1361-6668; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.878 |
Times cited |
19 |
Open Access |
|
Notes ![sorted by Notes field, descending order (down)](img/sort_desc.gif) |
; This work was supported by EU Marie Curie (Project No: 253057), the Flemish Science Foundation (FWO-Vl) and King Fahd University of Petroleum and Minerals, Saudi Arabia, under the IN131034 DSR project. ; |
Approved |
Most recent IF: 2.878; 2015 IF: 2.325 |
Call Number |
c:irua:125491 |
Serial |
829 |
Permanent link to this record |
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Author |
Li, L.L.; Partoens, B.; Xu, W.; Peeters, F.M. |
Title |
Electric-field modulation of linear dichroism and Faraday rotation in few-layer phosphorene |
Type |
A1 Journal article |
Year |
2019 |
Publication |
2D materials |
Abbreviated Journal |
2D Mater |
Volume |
6 |
Issue |
1 |
Pages |
015032 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Electro-optical modulators, which use an electric voltage (or an electric field) to modulate a beam of light, are essential elements in present-day telecommunication devices. Using a self-consistent tight-binding approach combined with the standard Kubo formula, we show that the optical conductivity and the linear dichroism of few-layer phosphorene can be modulated by a perpendicular electric field. We find that the field-induced charge screening plays a significant role in modulating the optical conductivity and the linear dichroism. Distinct absorption peaks are induced in the conductivity spectrum due to the strong quantum confinement along the out-of-plane direction and to the field-induced forbidden-to-allowed transitions. The field modulation of the linear dichroism becomes more pronounced with increasing number of phosphorene layers. We also show that the Faraday rotation is present in few-layer phosphorene even in the absence of an external magnetic field. This optical Hall effect is induced by the reduced lattice symmetry of few-layer phosphorene. The Faraday rotation is greatly influenced by the field-induced charge screening and is strongly dependent on the strength of perpendicular electric field and on the number of phosphorene layers. |
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 |
000454321100002 |
Publication Date |
2018-11-28 |
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 |
|
ISSN |
2053-1583 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.937 |
Times cited |
19 |
Open Access |
|
Notes ![sorted by Notes field, descending order (down)](img/sort_desc.gif) |
; This work was financially supported by the Flemish Science Foundation (FWO-Vl) and by the FLAG-ERA project TRANS-2D-TMD. ; |
Approved |
Most recent IF: 6.937 |
Call Number |
UA @ admin @ c:irua:156776 |
Serial |
5207 |
Permanent link to this record |
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Author |
de Sousa, G.O.; da Costa, D.R.; Chaves, A.; Farias, G.A.; Peeters, F.M. |
Title |
Unusual quantum confined Stark effect and Aharonov-Bohm oscillations in semiconductor quantum rings with anisotropic effective masses |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
Volume |
95 |
Issue |
95 |
Pages |
205414 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The effects of external electric and magnetic fields on the energy spectrum of quantum rings made out of a bidimensional semiconductor material with anisotropic band structures are investigated within the effective-mass model. The interplay between the effective-mass anisotropy and the radial confinement leads to wave functions that are strongly localized at two diametrically opposite regions where the kinetic energy is lowest due to the highest effective mass. We show that this quantum phenomenon has clear consequences on the behavior of the energy states in the presence of applied in-plane electric fields and out-of-plane magnetic fields. In the former, the quantum confined Stark effect is observed with either linear or quadratic shifts, depending on the direction of the applied field. As for the latter, the usual Aharonov-Bohm oscillations are not observed for a circularly symmetric confining potential, however they can be reinstated if an elliptic ring with an appropriate aspect ratio is chosen. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000401230600007 |
Publication Date |
2017-05-12 |
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 |
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
19 |
Open Access |
|
Notes ![sorted by Notes field, descending order (down)](img/sort_desc.gif) |
; This work was financially supported by CNPq under the PRONEX/FUNCAP grants, CAPES Foundation, the Flemish Science Foundation (FWO-Vl), and the Brazilian Program Science Without Borders (CsF). ; |
Approved |
Most recent IF: 3.836 |
Call Number |
UA @ lucian @ c:irua:143746 |
Serial |
4610 |
Permanent link to this record |
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Author |
Bafekry, A.; Stampfl, C.; Ghergherehchi, M. |
Title |
Strain, electric-field and functionalization induced widely tunable electronic properties in MoS2/BC3, /C3N and / C3N4 van der Waals heterostructures |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Nanotechnology (Bristol. Print) |
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
295202 pp |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
In this paper, the effect of BC3, C3N and C3N4BC(3) and MoS2/C(3)N4 heterostructures are direct semiconductors with band gaps of 0.4 and 1.74 eV, respectively, while MoS2/C3N is a metal. Furthermore, the influence of strain and electric field on the electronic structure of these van der Waals heterostructures is investigated. The MoS2/BC3 heterostructure, for strains larger than -4%, transforms it into a metal where the metallic character is maintained for strains larger than -6%. The band gap decreases with increasing strain to 0.35 eV (at +2%), while for strain (>+6%) a direct-indirect band gap transition is predicted to occur. For the MoS2/C3N heterostructure, the metallic character persists for all strains considered. On applying an electric field, the electronic properties of MoS2/C3N4 are modified and its band gap decreases as the electric field increases. Interestingly, the band gap reaches 30 meV at +0.8 V/angstrom, and with increase above +0.8 V/angstrom, a semiconductor-to-metal transition occurs. Furthermore, we investigated effects of semi- and full-hydrogenation of MoS2/C3N and we found that it leads to a metallic and semiconducting character, respectively. |
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 |
000532366000001 |
Publication Date |
2020-04-09 |
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 |
|
ISSN |
|
ISBN |
0957-4484 |
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
19 |
Open Access |
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Notes ![sorted by Notes field, descending order (down)](img/sort_desc.gif) |
; This work has supported by the National Research Foundation of Korea(NRF) grant funded by the Korea government(MSIT)(NRF-2017R1A2B2011989). ; |
Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:169523 |
Serial |
6444 |
Permanent link to this record |
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Author |
Das, S.; Rata, A.D.; Maznichenko, I., V; Agrestini, I.S.; Pippel, E.; Gauquelin, N.; Verbeeck, J.; Chen, K.; Valvidares, S.M.; Vasili, H.B.; Herrero-Martin, J.; Pellegrin, E.; Nenkov, K.; Herklotz, A.; Ernst, A.; Mertig, I.; Hu, Z.; Doerr, K. |
Title |
Low-field switching of noncollinear spin texture at La0.7Sr0.3MnO3-SrRuO3interfaces |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
Volume |
99 |
Issue |
2 |
Pages |
024416 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Interfaces of ferroic oxides can show complex magnetic textures which have strong impact on spintronics devices. This has been demonstrated recently for interfaces with insulating antiferromagnets such as BiFeO3. Here, noncollinear spin textures which can be switched in very low magnetic field are reported for conducting ferromagnetic bilayers of La0.7Sr0.3MnO3-SrRuO3 (LSMO-SRO). The magnetic order and switching are fundamentally different for bilayers coherently grown in reversed stacking sequence. The SRO top layer forms a persistent exchange spring which is antiferromagnetically coupled to LSMO and drives switching in low fields of a few milliteslas. Density functional theory reveals the crucial impact of the interface termination on the strength of Mn-Ru exchange coupling across the interface. The observation of an exchange spring agrees with ultrastrong coupling for the MnO2/SrO termination. Our results demonstrate low-field switching of noncollinear spin textures at an interface between conducting oxides, opening a pathway for manipulating and utilizing electron transport phenomena in controlled spin textures at oxide interfaces. |
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 |
000455821400005 |
Publication Date |
2019-01-15 |
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 |
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
19 |
Open Access |
OpenAccess |
Notes ![sorted by Notes field, descending order (down)](img/sort_desc.gif) |
; The research in Halle was supported by Deutsche Forschungsgemeinschaft (DFG), SFB 762 Functional Oxide Interfaces (Projects No. A9 and No. B1). K.C. benefited from support of the DFG (Project 600575). Discussions with M. Trassin, M. Ziese, H. M. Christen, E.-J. Guo, F. Grcondciel, M. Bibes, and H. N. Lee are gratefully acknowledged. N. G. and J. V. acknowledge funding under the GOA project “Solarpaint” of the University of Antwerp. The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. ; |
Approved |
Most recent IF: 3.836 |
Call Number |
UA @ admin @ c:irua:156717 |
Serial |
5255 |
Permanent link to this record |
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Author |
Kontozova-Deutsch, V.; Deutsch, F.; Bencs, L.; Krata, A.; Van Grieken, R.; De Wael, K. |
Title |
Optimization of the ion chromatographic quantification of airborne fluoride, acetate and formate in the Metropolitan Museum of Art, New York |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Talanta : the international journal of pure and applied analytical chemistry |
Abbreviated Journal |
Talanta |
Volume |
86 |
Issue |
|
Pages |
372-376 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Ion chromatographic (IC) methods have been compared in order to achieve an optimal separation of fluoride, acetate and formate under various elution conditions on two formerly introduced analytical columns (i and ii) and a novel one (iii): (i) an IonPac AS14 (250 mm × 4 mm I.D.), (ii) Allsep A-2 (150 mm × 4.6 mm I.D.), and (iii) an IC SI-50 4E (250 mm (length) × 4 mm (internal diameter – I.D.)). The IC conditions for the separation of the anions concerned were optimized on the IC SI-50 4E column. A near baseline separation of these anions was attained on the IonPac AS14, whereas the peaks of fluoride and acetate could not be resolved on the Allsep A-2. A baseline separation for the three anions was achieved on the IC SI-50 4E column, when applying an eluent mixture of 3.2 mmol/L Na2CO3 and 1.0 mmol/L NaHCO3 with a flow rate of 1.0 mL/min. The highest precision of 1.7, 3.0 and 2.8% and the best limits of detection (LODs) of 0.014, 0.22 and 0.17 mg/L for fluoride, acetate and formate, respectively, were obtained with the IC SI-50 4E column. Hence, this column was applied for the determination of the acetic and formic acid contents of air samples taken by means of passive gaseous sampling at the Metropolitan Museum of Art in New York, USA. Atmospheric concentrations of acetic and formic acid up to 1050 and 450 μg/m3, respectively, were found in non-aerated showcases of the museum. In galleries and outdoors, rather low levels of acetic and formic acid were detected with average concentrations of 50 and 10 μg/m3, respectively. The LOD data of acetate and formate on the IC SI-50 4E column correspond to around 0.5 μg/m3 for both acetic and formic acid in air samples. |
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 |
000298126300048 |
Publication Date |
2011-09-24 |
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 |
0039-9140; 1873-3573 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.162 |
Times cited |
19 |
Open Access |
|
Notes ![sorted by Notes field, descending order (down)](img/sort_desc.gif) |
; The authors gratefully acknowledge the support of Marco Leona and the staff of the Metropolitan Museum of Art in New York during the sampling campaigns. The technical assistance and advice by Dr. Takashi Kotsuka and Shodex Benelux are acknowledged as well. ; |
Approved |
Most recent IF: 4.162; 2011 IF: 3.794 |
Call Number |
UA @ admin @ c:irua:92066 |
Serial |
5762 |
Permanent link to this record |
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Author |
Bals, S.; Goris, B.; de Backer, A.; Van Aert, S.; Van Tendeloo, G. |
Title |
Atomic resolution electron tomography |
Type |
A1 Journal article |
Year |
2016 |
Publication |
MRS bulletin |
Abbreviated Journal |
Mrs Bull |
Volume |
41 |
Issue |
41 |
Pages |
525-530 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Over the last two decades, three-dimensional (3D) imaging by transmission electron microscopy or “electron tomography” has evolved into a powerful tool to investigate a variety of nanomaterials in different fields, such as life sciences, chemistry, solid-state physics, and materials science. Most of these results were obtained with nanometer-scale resolution, but different approaches have recently pushed the resolution to the atomic level. Such information is a prerequisite to understand the specific relationship between the atomic structure and the physicochemical properties of (nano) materials. We provide an overview of the latest progress in the field of atomic-resolution electron tomography. Different imaging and reconstruction approaches are presented, and state-of-the-art results are discussed. This article demonstrates the power and importance of electron tomography with atomic-scale resolution. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Pittsburgh, Pa |
Editor |
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Language |
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Wos |
000382508100012 |
Publication Date |
2016-07-07 |
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 |
|
ISSN |
0883-7694 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.199 |
Times cited |
19 |
Open Access |
OpenAccess |
Notes ![sorted by Notes field, descending order (down)](img/sort_desc.gif) |
; The authors gratefully acknowledge funding from the Research Foundation Flanders (G.0381.16N, G.036915, G.0374.13, and funding of postdoctoral grants to B.G. and A.D.B.). S.B. acknowledges the European Research Council, ERC Grant Number 335078-Colouratom. The research leading to these results received funding from the European Union Seventh Framework Program under Grant Agreements 312483 (ESTEEM2). The authors would like to thank the colleagues who have contributed to this work, including K.J. Batenburg, J. De Beenhouwer, R. Erni, M.D. Rossell, W. Van den Broek, L. Liz-Marzan, E. Carbo-Argibay, S. Gomez-Grana, P. Lievens, M. Van Bael, B. Partoens, B. Schoeters, and J. Sijbers. ; ecas_sara |
Approved |
Most recent IF: 5.199 |
Call Number |
UA @ lucian @ c:irua:135690 |
Serial |
4299 |
Permanent link to this record |
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Author |
Anaf, W.; Janssens, K.; De Wael, K. |
Title |
Formation of metallic mercury during photodegradation/photodarkening of \alpha-HgS : electrochemical evidence |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
Volume |
52 |
Issue |
48 |
Pages |
12568-12571 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Das rote Pigment α-HgS neigt in Gegenwart von Licht und Chloridionen zur Schwärzung. Als Grund für die Zersetzung und Entfärbung werden die Bildung von (schwarzem) β-HgS oder Quecksilbermetall vermutet, doch diese Substanzen wurden noch nicht auf natürlich oder künstlich zersetzter HgS-Farbe nachgewiesen. Elektrochemische Experimente belegen nun die Bildung von Quecksilbermetall in Gegenwart von Licht und Chloridionen. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
|
Language |
|
Wos |
000327582900015 |
Publication Date |
2013-10-04 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1433-7851; 0570-0833 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
11.994 |
Times cited |
19 |
Open Access |
|
Notes ![sorted by Notes field, descending order (down)](img/sort_desc.gif) |
; The authors acknowledge L. Klaassen for valuable discussions and providing samples. We acknowledge financial support from the SDD programme (S2-ART project) of the Belgian Federal Goverment. ; |
Approved |
Most recent IF: 11.994; 2013 IF: 11.336 |
Call Number |
UA @ admin @ c:irua:111265 |
Serial |
5626 |
Permanent link to this record |
|
|
|
Author |
Zanaga, D.; Altantzis, T.; Sanctorum, J.; Freitag, B.; Bals, S. |
Title |
An alternative approach for \zeta-factor measurement using pure element nanoparticles |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
Volume |
164 |
Issue |
|
Pages |
11-16 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
It is very challenging to measure the chemical composition of hetero nanostructures in a reliable and quantitative manner. Here, we propose a novel and straightforward approach that can be used to quantify energy dispersive X-ray spectra acquired in a transmission electron microscope. Our method is based on a combination of electron tomography and the so-called zeta-factor technique. We will demonstrate the reliability of our approach as well as its applicability by investigating Au-Ag and Au-Pt hetero nanostructures. Given its simplicity, we expect that the method could become a new standard in the field of chemical characterization using electron microscopy. (C) 2016 Elsevier B.V. All rights reserved. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000373526200002 |
Publication Date |
2016-03-10 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0304-3991 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.843 |
Times cited |
19 |
Open Access |
OpenAccess |
Notes ![sorted by Notes field, descending order (down)](img/sort_desc.gif) |
; The authors acknowledge financial support from the European Research Council (ERC Starting Grant # 335078-COLOURATOMS) and the European Union under the FP7 (Integrated Infrastructure Initiative N. 312483 – ESTEEM2). ; ecas_Sara |
Approved |
Most recent IF: 2.843 |
Call Number |
UA @ lucian @ c:irua:133259 |
Serial |
4439 |
Permanent link to this record |
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|
|
Author |
Joao, S.M.; Andelkovic, M.; Covaci, L.; Rappoport, T.G.; Lopes, J.M.V.P.; Ferreira, A. |
Title |
KITE : high-performance accurate modelling of electronic structure and response functions of large molecules, disordered crystals and heterostructures |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Royal Society Open Science |
Abbreviated Journal |
Roy Soc Open Sci |
Volume |
7 |
Issue |
2 |
Pages |
191809-191832 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
Abstract |
We present KITE, a general purpose open-source tight-binding software for accurate real-space simulations of electronic structure and quantum transport properties of large-scale molecular and condensed systems with tens of billions of atomic orbitals (N similar to 10(10)). KITE's core is written in C++, with a versatile Python-based interface, and is fully optimized for shared memory multi-node CPU architectures, thus scalable, efficient and fast. At the core of KITE is a seamless spectral expansion of lattice Green's functions, which enables large-scale calculations of generic target functions with uniform convergence and fine control over energy resolution. Several functionalities are demonstrated, ranging from simulations of local density of states and photo-emission spectroscopy of disordered materials to large-scale computations of optical conductivity tensors and real-space wave-packet propagation in the presence of magneto-static fields and spin-orbit coupling. On-the-fly calculations of real-space Green's functions are carried out with an efficient domain decomposition technique, allowing KITE to achieve nearly ideal linear scaling in its multi-threading performance. Crystalline defects and disorder, including vacancies, adsorbates and charged impurity centres, can be easily set up with KITE's intuitive interface, paving the way to user-friendly large-scale quantum simulations of equilibrium and non-equilibrium properties of molecules, disordered crystals and heterostructures subject to a variety of perturbations and external conditions. |
Address |
|
Corporate Author |
|
Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000518020200001 |
Publication Date |
2020-02-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2054-5703 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.5 |
Times cited |
19 |
Open Access |
OpenAccess |
Notes ![sorted by Notes field, descending order (down)](img/sort_desc.gif) |
; T.G.R. and A.F. acknowledge support from the Newton Fund and the Royal Society through the Newton Advanced Fellowship scheme (ref. no. NA150043). M.A. and L.C. acknowledge support from the Trans2DTMD FlagEra project and the VSC (Flemish Supercomputer Center). A.F. acknowledges support from the Royal Society through a University Research Fellowship (ref. nos. UF130385 and URF-R-191021) and an Enhancement Award (ref. no. RGF-EA-180276). T.G.R. acknowledges the support from the Brazilian agencies CNPq and FAPERJ and COMPETE2020, PORTUGAL2020, FEDER and the Portuguese Foundation for Science and Technology (FCT) through project POCI-01-0145-FEDER-028114. S.M.J. is supported by Fundacao para a Ciencia e Tecnologia (FCT) under the grant no. PD/BD/142798/ 2018. S.M.J. and J.M.V.P.L. acknowledge financial support from the FCT, COMPETE 2020 programme in FEDER component (European Union), through projects POCI-01-0145-FEDER028887 and UID/FIS/04650/2013. S.M.J. and J.M.V.P.L. further acknowledge financial support from FCT through national funds, co-financed by COMPETE-FEDER (grant no. M-ERANET2/0002/2016 -UltraGraf) under the Partnership Agreement PT2020. ; |
Approved |
Most recent IF: 3.5; 2020 IF: 2.243 |
Call Number |
UA @ admin @ c:irua:167751 |
Serial |
6556 |
Permanent link to this record |
|
|
|
Author |
Chen, Q.; Wang, W.; Peeters, F.M. |
Title |
Magneto-polarons in monolayer transition-metal dichalcogenides |
Type |
A1 Journal article |
Year |
2018 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
123 |
Issue |
21 |
Pages |
214303 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Landau levels (LLs) are modified by the Frohlich interaction which we investigate within the improved Wigner-Brillouin theory for energies both below and above the longitudinal-optical-continuum in monolayer MoS2.., WS2, MoSe2, and WSe2. Polaron corrections to the LLs are enhanced in monolayer MoS2 as compared to WS2. A series of levels are found at h omega(LO) + lh omega(c), and in addition, the Frohlich interaction lifts the degeneracy between the levels nh omega(c) and h omega(LO) + lh omega(c) resulting in an anticrossing. The screening effect due to the environment plays an important role in the polaron energy corrections, which are also affected by the effective thickness r(eff) parameter. The polaron anticrossing energy gap E-gap decreases with increasing effective thickness r(eff). Published by AIP Publishing. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000434775500014 |
Publication Date |
2018-06-05 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; 1089-7550 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
19 |
Open Access |
|
Notes ![sorted by Notes field, descending order (down)](img/sort_desc.gif) |
; Q. Chen and W. Wang acknowledge the financial support from the China Scholarship Council (CSC). This work was also supported by Hunan Provincial Natural Science Foundation of China (Grant No. 2015JJ2040), by the Scientific Research Fund of Hunan Provincial Education Department (Grant No. 15A042), and by the National Natural Science Foundation of China (Grant No. 11404214). ; |
Approved |
Most recent IF: 2.068 |
Call Number |
UA @ lucian @ c:irua:151985UA @ admin @ c:irua:151985 |
Serial |
5031 |
Permanent link to this record |
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|
|
Author |
Guzzinati, G.; Clark, L.; Béché, A.; Juchtmans, R.; Van Boxem, R.; Mazilu, M.; Verbeeck, J. |
Title |
Prospects for versatile phase manipulation in the TEM : beyond aberration correction |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
Volume |
151 |
Issue |
151 |
Pages |
85-93 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
In this paper we explore the desirability of a transmission electron microscope in which the phase of the electron wave can be freely controlled. We discuss different existing methods to manipulate the phase of the electron wave and their limitations. We show how with the help of current techniques the electron wave can already be crafted into specific classes of waves each having their own peculiar properties. Assuming a versatile phase modulation device is feasible, we explore possible benefits and methods that could come into existence borrowing from light optics where the so-called spatial light modulators provide programmable phase plates for quite some time now. We demonstrate that a fully controllable phase plate building on Harald Rose׳s legacy in aberration correction and electron optics in general would open an exciting field of research and applications. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000351237800012 |
Publication Date |
2014-10-22 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0304-3991; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.843 |
Times cited |
19 |
Open Access |
|
Notes ![sorted by Notes field, descending order (down)](img/sort_desc.gif) |
278510 Vortex; Fwo; 312483 Esteem2; esteem2jra2; esteem2jra3 ECASJO_; |
Approved |
Most recent IF: 2.843; 2015 IF: 2.436 |
Call Number |
c:irua:121405 c:irua:121405UA @ admin @ c:irua:121405 |
Serial |
2731 |
Permanent link to this record |
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|
|
Author |
Verbeeck, J.; Lebedev, O.I.; Van Tendeloo, G.; Silcox, J.; Mercey, B.; Hervieu, M.; Haghiri-Gosnet, A.M. |
Title |
Electron energy-loss spectroscopy study of a (LaMnO3)8(SrMnO3)4 heterostructure |
Type |
A1 Journal article |
Year |
2001 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
79 |
Issue |
13 |
Pages |
2037-2039 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
An epitaxially grown heterostructure consisting of alternating layers of LaMnO3 (8 unit cells) and SrMnO3 (4 unit cells) on a SrTiO3 substrate has been studied by a combination of electron energy-loss spectroscopy (EELS) and high-resolution transmission electron microscopy (HRTEM) on an atomic scale. Excitation edges of all elements are captured with subnanometer spatial accuracy, and parametrized to obtain chemical profiles. The fine-edge structure of O K and Mn L-2,L-3 edges are interpreted as signatures of the local electronic structure and show a spatial modulation of the concentration of holes with O 2p character. The chemical concentration is found to be different for the bottom and top interface of a SrMnO3 layer. HRTEM complements the EELS results and confirms the asymmetry of the interfaces. (C) 2001 American Institute of Physics. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000171015200036 |
Publication Date |
2002-07-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
19 |
Open Access |
|
Notes ![sorted by Notes field, descending order (down)](img/sort_desc.gif) |
|
Approved |
Most recent IF: 3.411; 2001 IF: 3.849 |
Call Number |
UA @ lucian @ c:irua:54799UA @ admin @ c:irua:54799 |
Serial |
933 |
Permanent link to this record |
|
|
|
Author |
Lobato Hoyos, I.P.; van Dyck, D. |
Title |
An accurate parameterization for scattering factors, electron densities and electrostatic potentials for neutral atoms that obey all physical constraints |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Acta crystallographica: section A: foundations of crystallography |
Abbreviated Journal |
Acta Crystallogr A |
Volume |
70 |
Issue |
6 |
Pages |
636-649 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
Abstract |
An efficient procedure and computer program are outlined for fitting numerical X-ray and electron scattering factors with the correct inclusion of all physical constraints. The numerical electron scattering factors have been parameterized using five analytic non-relativistic hydrogen electron scattering factors as basis functions for 103 neutral atoms of the periodic table. The inclusion of the correct physical constraints in the electron scattering factor and its derived quantities allows the use of the new parameterization in different fields. In terms of quality of the fit, the proposed parameterization of the electron scattering factor is one order of magnitude better than the previous analytic fittings. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Copenhagen |
Editor |
|
Language |
|
Wos |
000344599300012 |
Publication Date |
2014-10-16 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2053-2733; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.725 |
Times cited |
19 |
Open Access |
|
Notes ![sorted by Notes field, descending order (down)](img/sort_desc.gif) |
|
Approved |
Most recent IF: 5.725; 2014 IF: NA |
Call Number |
UA @ lucian @ c:irua:122103 |
Serial |
93 |
Permanent link to this record |
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|
|
Author |
Titantah, J.T.; Lamoen, D.; Schowalter, M.; Rosenauer, A. |
Title |
Bond length variation in Ga1-xInxAs crystals from the Tersoff potential |
Type |
A1 Journal article |
Year |
2007 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
101 |
Issue |
12 |
Pages |
123508,1-4 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000247625700034 |
Publication Date |
2007-06-20 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
19 |
Open Access |
|
Notes ![sorted by Notes field, descending order (down)](img/sort_desc.gif) |
|
Approved |
Most recent IF: 2.068; 2007 IF: 2.171 |
Call Number |
UA @ lucian @ c:irua:67460 |
Serial |
247 |
Permanent link to this record |
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|
|
Author |
Kolev, I.; Bogaerts, A. |
Title |
Calculation of gas heating in a dc sputter magnetron |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
104 |
Issue |
9 |
Pages |
093301,1-093301,8 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The effect of gas heating in laboratory sputter magnetrons is investigated by means of numerical modeling. The model is two-dimensional in the coordinate space and three-dimensional in the velocity space based on the particle-in-cellMonte Carlo collisions technique. It is expanded in a way that allows the inclusion of the neutral plasma particles (fast gas atoms and sputtered atoms), which makes it possible to calculate the gas temperature and its influence on the discharge behavior in a completely self-consistent way. The results of the model are compared to experimental measurements and to other existing simulation results. The results show that gas heating is pressure dependent (rising with the increase in the gas pressure) and should be taken into consideration at pressures above 10 mTorr. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000260941700017 |
Publication Date |
2008-11-07 |
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 |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
19 |
Open Access |
|
Notes ![sorted by Notes field, descending order (down)](img/sort_desc.gif) |
|
Approved |
Most recent IF: 2.068; 2008 IF: 2.201 |
Call Number |
UA @ lucian @ c:irua:71286 |
Serial |
267 |
Permanent link to this record |
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|
|
Author |
Sullivan, E.; Hadermann, J.; Greaves, C. |
Title |
Crystallographic and magnetic characterisation of the brownmillerite Sr2Co2O5 |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
184 |
Issue |
3 |
Pages |
649-654 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Sr2Co2O5 with the perovskite-related brownmillerite structure has been synthesised via quenching, with the orthorhombic unit cell parameters a=5.4639(3) Å, b=15.6486(8) Å and c=5.5667(3) Å based on refinement of neutron powder diffraction data collected at 4 K. Electron microscopy revealed LRLR-intralayer ordering of chain orientations, which require a doubling of the unit cell along the c-parameter, consistent with the assignment of the space group Pcmb. However, on the length scale pertinent to NPD, no long-range order is observed and the disordered space group Imma appears more appropriate. The magnetic structure corresponds to G-type order with a moment of 3.00(4) μB directed along [1 0 0]. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000288587800026 |
Publication Date |
2011-01-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.299 |
Times cited |
19 |
Open Access |
|
Notes ![sorted by Notes field, descending order (down)](img/sort_desc.gif) |
|
Approved |
Most recent IF: 2.299; 2011 IF: 2.159 |
Call Number |
UA @ lucian @ c:irua:89650 |
Serial |
584 |
Permanent link to this record |
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|
|
Author |
van Grieken, R.; Gijbels, R.; Speecke, A.; Hoste, J. |
Title |
The determination of silicon in steel by 14-mev neutron activation analysis |
Type |
A1 Journal article |
Year |
1968 |
Publication |
Analytica chimica acta |
Abbreviated Journal |
Anal Chim Acta |
Volume |
43 |
Issue |
|
Pages |
199-209 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
A fast (25 min) non-destructive determination of silicon in steel by 14-MeV neutron activation is described. The 1.78-MeV 28Al activity, induced by the reaction 28Si(n,p)28Al, is counted on a NaI(Tl) detector. An oxygen flux monitor is used to normalise to the same neutron flux. Two methods are described to correct for the 56Mn activity (2.58 h), induced into the iron matrix via 56Fe(n,p)56Mn. Nuclear interferences of phosphorus and aluminium have been examined. Special attention has been paid to stainless steels. A sensitivity of 0.02 to 0.05% of silicon is obtained. The precision is 2 to 3% for steels containing above 1% silicon, and 7% for 0.1% of silicon. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
A1968C007600004 |
Publication Date |
2002-07-25 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-2670; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.513 |
Times cited |
19 |
Open Access |
|
Notes ![sorted by Notes field, descending order (down)](img/sort_desc.gif) |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:116357 |
Serial |
673 |
Permanent link to this record |
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|
|
Author |
Gorlé, C.; Larsson, J.; Emory, M.; Iaccarino, G. |
Title |
The deviation from parallel shear flow as an indicator of linear eddy-viscosity model inaccuracy |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physics of fluids |
Abbreviated Journal |
Phys Fluids |
Volume |
26 |
Issue |
5 |
Pages |
051702 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
A marker function designed to indicate in which regions of a generic flow field the results from linear eddy-viscosity turbulence models are plausibly inaccurate is introduced. The marker is defined to identify regions that deviate from parallel shear flow. For two different flow fields it is shown that these regions largely coincide with regions where the prediction of the Reynolds stress divergence is inaccurate. The marker therefore offers a guideline for interpreting results obtained from Reynolds-averaged Navier-Stokes simulations and provides a basis for the further development of turbulence model-form uncertainty quantification methods. (C) 2014 AIP Publishing LLC. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Woodbury, N.Y. |
Editor |
|
Language |
|
Wos |
000337103900002 |
Publication Date |
2014-05-15 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1070-6631;1089-7666; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.232 |
Times cited |
19 |
Open Access |
|
Notes ![sorted by Notes field, descending order (down)](img/sort_desc.gif) |
|
Approved |
Most recent IF: 2.232; 2014 IF: 2.031 |
Call Number |
UA @ lucian @ c:irua:118385 |
Serial |
684 |
Permanent link to this record |
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|
|
Author |
Anisimovas, E.; Peeters, F.M. |
Title |
Excitonic trions in vertically coupled quantum dots |
Type |
A1 Journal article |
Year |
2003 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
68 |
Issue |
|
Pages |
115310,1-9 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
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Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000185829300062 |
Publication Date |
2003-09-17 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
19 |
Open Access |
|
Notes ![sorted by Notes field, descending order (down)](img/sort_desc.gif) |
|
Approved |
Most recent IF: 3.836; 2003 IF: NA |
Call Number |
UA @ lucian @ c:irua:69375 |
Serial |
1124 |
Permanent link to this record |
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Author |
Sankaran, K.; Clima, S.; Mees, M.; Pourtois, G. |
Title |
Exploring alternative metals to Cu and W for interconnects applications using automated first-principles simulations |
Type |
A1 Journal article |
Year |
2015 |
Publication |
ECS journal of solid state science and technology |
Abbreviated Journal |
Ecs J Solid State Sc |
Volume |
4 |
Issue |
4 |
Pages |
N3127-N3133 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The bulk properties of elementary metals and copper based binary alloys have been investigated using automated first-principles simulations to evaluate their potential to replace copper and tungsten as interconnecting wires in the coming CMOS technology nodes. The intrinsic properties of the screened candidates based on their cohesive energy and on their electronic properties have been used as a metrics to reflect their resistivity and their sensitivity to electromigration. Using these values, the 'performances' of the alloys have been benchmarked with respect to the Cu and W ones. It turns out that for some systems, alloying Cu with another element leads to a reduced tendency to electromigration. This is however done at the expense of a decrease of the conductivity of the alloy with respect to the bulk metal. (C) 2014 The Electrochemical Society. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
Electrochemical society |
Place of Publication |
Pennington (N.J.) |
Editor |
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Language |
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Wos |
000349547900018 |
Publication Date |
2014-11-19 |
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 |
2162-8769;2162-8777; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.787 |
Times cited |
19 |
Open Access |
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Notes ![sorted by Notes field, descending order (down)](img/sort_desc.gif) |
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Approved |
Most recent IF: 1.787; 2015 IF: 1.558 |
Call Number |
c:irua:125296 |
Serial |
1150 |
Permanent link to this record |
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Author |
Verbist, G.; Peeters, F.M.; Devreese, J.T. |
Title |
Extended stability region for large bipolarons through interaction with multiple phonon branches |
Type |
A1 Journal article |
Year |
1992 |
Publication |
Ferroelectrics |
Abbreviated Journal |
Ferroelectrics |
Volume |
130 |
Issue |
1-3 |
Pages |
27-34 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
Abstract |
The large (bi)polaron is investigated for the case where the electron interacts with multiple LO-phonon branches. Explicit expressions for the groundstate energy and the effective mass are obtained within the Feynman polaron model approximation and they are applied to the material SrTiO3. The results of an effective LO-phonon branch approximation are compared with the results in which all LO-phonon branches are explicitly included. We show how the stability region for large bipolaron formation is enlarged when the electrons interact with multiple LO-phonon branches. The possible relevance of this result for the high-T(c) superconductors is pointed out. |
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 |
A1992JV42600004 |
Publication Date |
2011-03-16 |
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 |
|
ISSN |
0015-0193;1563-5112; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
0.469 |
Times cited |
19 |
Open Access |
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Notes ![sorted by Notes field, descending order (down)](img/sort_desc.gif) |
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Approved |
no |
Call Number |
UA @ lucian @ c:irua:103065 |
Serial |
1157 |
Permanent link to this record |
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Author |
Schryvers, D.; Ma, Y. |
Title |
The growth of Ni5Al3 in L10 martensite studied by in situ transmission electron microscopy and high resolution electron microscopy |
Type |
A1 Journal article |
Year |
1995 |
Publication |
Journal of alloys and compounds |
Abbreviated Journal |
J Alloy Compd |
Volume |
221 |
Issue |
|
Pages |
227-234 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
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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 |
A1995QZ73800044 |
Publication Date |
2002-07-25 |
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 |
|
ISSN |
0925-8388; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.999 |
Times cited |
19 |
Open Access |
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Notes ![sorted by Notes field, descending order (down)](img/sort_desc.gif) |
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Approved |
no |
Call Number |
UA @ lucian @ c:irua:13169 |
Serial |
1397 |
Permanent link to this record |
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Author |
Tirry, W.; Schryvers, D. |
Title |
High resolution TEM study of Ni4Ti3 precipitates in austenitic Ni51Ti49 |
Type |
A1 Journal article |
Year |
2004 |
Publication |
Materials science and engineering: part A: structural materials: properties, microstructure and processing |
Abbreviated Journal |
Mat Sci Eng A-Struct |
Volume |
378 |
Issue |
1/2 |
Pages |
157-160 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
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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 |
000223329900028 |
Publication Date |
2004-04-10 |
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 |
|
ISSN |
0921-5093; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.094 |
Times cited |
19 |
Open Access |
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Notes ![sorted by Notes field, descending order (down)](img/sort_desc.gif) |
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Approved |
Most recent IF: 3.094; 2004 IF: 1.445 |
Call Number |
UA @ lucian @ c:irua:48785 |
Serial |
1461 |
Permanent link to this record |
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Author |
King, G.; Abakumov, A.M.; Woodward, P.M.; Llobet, A.; Tsirlin, A.A.; Batuk, D.; Antipov, E.V. |
Title |
The high-temperature polymorphs of K3AlF6 |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
Volume |
50 |
Issue |
16 |
Pages |
7792-7801 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The crystal structures of the three high-temperature polymorphs of K3AlF6 have been solved from neutron powder diffraction, synchrotron X-ray powder diffraction, and electron diffraction data. The β-phase (stable between 132 and 153 °C) and γ-phase (stable between 153 to 306 °C) can be described as unusually complex superstructures of the double-perovskite structure (K2KAlF6) which result from noncooperative tilting of the AlF6 octahedra. The β-phase is tetragonal, space group I4/m, with lattice parameters of a = 13.3862(5) Å and c = 8.5617(3) Å (at 143 °C) and Z = 10. In this phase, one-fifth of the AlF6 octahedra are rotated about the c-axis by 45° while the other four-fifths remain untilted. The large 45° rotations result in edge sharing between these AlF6 octahedra and the neighboring K-centered polyhedra, resulting in pentagonal bipyramidal coordination for four-fifths of the K+ ions that reside on the B-sites of the perovskite structure. The remaining one-fifth of the K+ ions on the B-sites retain octahedral coordination. The γ-phase is orthorhombic, space group Fddd, with lattice parameters of a = 36.1276(4) Å, b = 17.1133(2) Å, and c = 12.0562(1) Å (at 225 °C) and Z = 48. In the γ-phase, one-sixth of the AlF6 octahedra are randomly rotated about one of two directions by 45° while the other five-sixths remain essentially untilted. These rotations result in two-thirds of the K+ ions on the B-site obtaining 7-fold coordination while the other one-third remain in octahedral coordination. The δ-phase adopts the ideal cubic double-perovskite structure, space group Fmm, with a = 8.5943(1) Å at 400 °C. However, pair distribution function analysis shows that locally the δ-phase is quite different from its long-range average crystal structure. The AlF6 octahedra undergo large-amplitude rotations which are accompanied by off-center displacements of the K+ ions that occupy the 12-coordinate A-sites. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Easton, Pa |
Editor |
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Language |
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Wos |
000293493100052 |
Publication Date |
2011-07-11 |
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 |
0020-1669;1520-510X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.857 |
Times cited |
19 |
Open Access |
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Notes ![sorted by Notes field, descending order (down)](img/sort_desc.gif) |
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Approved |
Most recent IF: 4.857; 2011 IF: 4.601 |
Call Number |
UA @ lucian @ c:irua:91131 |
Serial |
1468 |
Permanent link to this record |
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Author |
Vernimmen, J.; Guidotti, M.; Silvestre-Albero, J.; Jardim, E.O.; Mertens, M.; Lebedev, O.I.; Van Tendeloo, G.; Psaro, R.; Rodríguez-Reinoso, F.; Meynen, V.; Cool, P. |
Title |
Immersion calorimetry as a tool to evaluate the catalytic performance of titanosilicate materials in the epoxidation of cyclohexene |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Langmuir: the ACS journal of surfaces and colloids |
Abbreviated Journal |
Langmuir |
Volume |
27 |
Issue |
7 |
Pages |
3618-3625 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) |
Abstract |
Different types of titanosilicates are synthesized, structurally characterized, and subsequently catalytically tested in the liquid-phase epoxidation of cyclohexene. The performance of three types of combined zeolitic/mesoporous materials is compared with that of widely studied Ti-grafted-MCM-41 molecular sieve and the TS-1 microporous titanosilicate. The catalytic test results are correlated with the structural characteristics of the different catalysts. Moreover, for the first time, immersion calorimetry with the same substrate molecule as in the catalytic test reaction is applied as an extra means to interpret the catalytic results. A good correlation between catalytic performance and immersion calorimetry results is found. This work points out that the combination of catalytic testing and immersion calorimetry can lead to important insights into the influence of the materials structural characteristics on catalysis. Moreover, the potential of using immersion calorimetry as a screening tool for catalysts in epoxidation reactions is shown. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000288970900054 |
Publication Date |
2011-02-23 |
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 |
0743-7463;1520-5827; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.833 |
Times cited |
19 |
Open Access |
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Notes ![sorted by Notes field, descending order (down)](img/sort_desc.gif) |
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Approved |
Most recent IF: 3.833; 2011 IF: 4.186 |
Call Number |
UA @ lucian @ c:irua:88366 |
Serial |
1557 |
Permanent link to this record |
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Author |
Dumpala, S.; Broderick, S.R.; Khalilov, U.; Neyts, E.C.; van Duin, A.C.T.; Provine, J.; Howe, R.T.; Rajan, K. |
Title |
Integrated atomistic chemical imaging and reactive force field molecular dynamic simulations on silicon oxidation |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
106 |
Issue |
106 |
Pages |
011602 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
In this paper, we quantitatively investigate with atom probe tomography, the effect of temperature on the interfacial transition layer suboxide species due to the thermal oxidation of silicon. The chemistry at the interface was measured with atomic scale resolution, and the changes in chemistry and intermixing at the interface were identified on a nanometer scale. We find an increase of suboxide (SiOx) concentration relative to SiO2 and increased oxygen ingress with elevated temperatures. Our experimental findings are in agreement with reactive force field molecular dynamics simulations. This work demonstrates the direct comparison between atom probe derived chemical profiles and atomistic-scale simulations for transitional interfacial layer of suboxides as a function of temperature. |
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 |
000347976900008 |
Publication Date |
2015-01-06 |
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 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
19 |
Open Access |
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Notes ![sorted by Notes field, descending order (down)](img/sort_desc.gif) |
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Approved |
Most recent IF: 3.411; 2015 IF: 3.302 |
Call Number |
c:irua:122300 |
Serial |
1679 |
Permanent link to this record |