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	Author	Becker, T.; Nelissen, K.; Cleuren, B.; Partoens, B.; Van den Broeck, C.
	Title	Adsorption and desorption in confined geometries : a discrete hopping model			Type	A1 Journal article
	Year	2014	Publication	The European physical journal. Special topics	Abbreviated Journal	Eur Phys J-Spec Top
	Volume	223	Issue	14	Pages	3243-3256
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We study the adsorption and desorption kinetics of interacting particles moving on a one-dimensional lattice. Confinement is introduced by limiting the number of particles on a lattice site. Adsorption and desorption are found to proceed at different rates, and are strongly influenced by the concentration-dependent transport diffusion. Analytical solutions for the transport and self-diffusion are given for systems of length 1 and 2 and for a zero-range process. In the last situation the self- and transport diffusion can be calculated analytically for any length.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000346416400015	Publication Date	2014-12-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1951-6355;1951-6401;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.862	Times cited	4	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen). 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: 1.862; 2014 IF: 1.399
	Call Number	UA @ lucian @ c:irua:122779			Serial	61
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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.;
	Title	Effect of selenium content of CuInSe_x alloy nanopowder precursors on recrystallization of printed CuInSe₂ absorber layers during selenization heat treatment			Type	A1 Journal article
	Year	2014	Publication	Thin solid films : an international journal on the science and technology of thin and thick films	Abbreviated Journal	Thin Solid Films
	Volume		Issue		Pages	1-7
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	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.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lausanne	Editor
	Language		Wos	000352225900004	Publication Date	2014-10-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0040-6090;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.879	Times cited	7	Open Access
	Notes				Approved	Most recent IF: 1.879; 2014 IF: 1.759
	Call Number	c:irua:121330			Serial	834
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	Author	Lu, J.; Roeffaers, M.B.J.; Bartholomeeusen, E.; Sels, B.F.; Schryvers, D.
	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
	Year	2014	Publication	Microscopy and microanalysis	Abbreviated Journal	Microsc Microanal
	Volume	20	Issue	1	Pages	42-49
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	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.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge, Mass.	Editor
	Language		Wos	000335378400006	Publication Date	2013-11-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1431-9276;1435-8115;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.891	Times cited	7	Open Access
	Notes				Approved	Most recent IF: 1.891; 2014 IF: 1.877
	Call Number	UA @ lucian @ c:irua:117688			Serial	1697
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	Author	Grieten, E.; Caen, J.; Schryvers, D.
	Title	Optimal sample preparation to characterize corrosion in historical photographs with analytical TEM			Type	A1 Journal article
	Year	2014	Publication	Microscopy and microanalysis	Abbreviated Journal	Microsc Microanal
	Volume	20	Issue	5	Pages	1585-1590
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Antwerp Cultural Heritage Sciences (ARCHES)
	Abstract	An alternative focused ion beam preparation method is used for sampling historical photographs containing metallic nanoparticles in a polymer matrix. We use the preparation steps of classical ultra-microtomy with an alternative final sectioning with a focused ion beam. Transmission electron microscopy techniques show that the lamella has a uniform thickness, which is an important factor for analytical transmission electron microscopy. Furthermore, the method maintains the spatial distribution of nanoparticles in the soft matrix. The results are compared with traditional preparation techniques such as ultra-microtomy and classical focused ion beam milling.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge, Mass.	Editor
	Language		Wos	000345742900031	Publication Date	2014-09-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1431-9276;1435-8115;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.891	Times cited		Open Access
	Notes				Approved	Most recent IF: 1.891; 2014 IF: 1.877
	Call Number	UA @ lucian @ c:irua:118481			Serial	2484
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	Author	Goris, B.; Freitag, B.; Zanaga, D.; Bladt, E.; Altantzis, T.; Ringnalda, J.; Bals, S.
	Title	Towards quantitative EDX results in 3 dimensions			Type	A1 Journal article
	Year	2014	Publication	Microscopy and microanalysis	Abbreviated Journal	Microsc Microanal
	Volume	20	Issue	S:3	Pages	766-767
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge, Mass.	Editor
	Language		Wos		Publication Date	2014-08-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1431-9276;1435-8115;	ISBN		Additional Links	UA library record
	Impact Factor	1.891	Times cited		Open Access	OpenAccess
	Notes	335078 Colouratom; Fwo; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot);			Approved	Most recent IF: 1.891; 2014 IF: 1.877
	Call Number	UA @ lucian @ c:irua:125381			Serial	3687
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	Author	Masenelli-Varlot, K.; Malchere, A.; Ferreira, J.; Heidari Mezerji, H.; Bals, S.; Messaoudi, C.; Garrido, S.M.
	Title	Wet-STEM tomography : principles, potentialities and limitations			Type	A1 Journal article
	Year	2014	Publication	Microscopy and microanalysis	Abbreviated Journal	Microsc Microanal
	Volume	20	Issue	2	Pages	366-375
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The characterization of biological and inorganic materials by determining their three-dimensional structure in conditions closer to their native state is a major challenge of technological research. Environmental scanning electron microscopy (ESEM) provides access to the observation of hydrated samples in water environments. Here, we present a specific device for ESEM in the scanning transmission electron microscopy mode, allowing the acquisition of tilt-series suitable for tomographic reconstructions. The resolution which can be obtained with this device is first determined. Then, we demonstrate the feasibility of tomography on wet materials. The example studied here is hydrophilic mesoporous silica (MCM-41). Finally, the minimum thickness of water which can be detected is calculated from Monte Carlo simulations and compared with the resolution expected in the tomograms.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge, Mass.	Editor
	Language		Wos	000337304700005	Publication Date	2014-02-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1431-9276;1435-8115;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.891	Times cited	9	Open Access	OpenAccess
	Notes	IAP-PAI; European Research Council under the 7th Framework Program (FP7); ERC grant no. 335078-COLOURATOMS.; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot);			Approved	Most recent IF: 1.891; 2014 IF: 1.877
	Call Number	UA @ lucian @ c:irua:118411			Serial	3915
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	Author	Jones, L.; Martinez, G.T.; Béché, A.; Van Aert, S.; Nellist, P.D.
	Title	Getting the best from an imperfect detector : an alternative normalisation procedure for quantitative HAADF STEM			Type	A1 Journal article
	Year	2014	Publication	Microscopy and microanalysis	Abbreviated Journal	Microsc Microanal
	Volume	20	Issue	S3	Pages	126-127
	Keywords	A1 Journal article; Engineering Management (ENM); Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge, Mass.	Editor
	Language		Wos		Publication Date	2014-08-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1431-9276	ISBN		Additional Links	UA library record
	Impact Factor	1.891	Times cited		Open Access
	Notes				Approved	Most recent IF: 1.891; 2014 IF: 1.877
	Call Number	UA @ lucian @ c:irua:136445			Serial	4500
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	Author	Ceglia, A.; Nuyts, G.; Cagno, S.; Meulebroeck, W.; Baert, K.; Cosyns, P.; Nys, K.; Thienpont, H.; Janssens, K.; Terryn, H.
	Title	A XANES study of chromophores : the case of black glass			Type	A1 Journal article
	Year	2014	Publication	Analytical methods	Abbreviated Journal	Anal Methods-Uk
	Volume	6	Issue	8	Pages	2662-2671
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	We studied the Fe K-edge X-ray absorption near edge (XANES) spectra of several Roman black glass fragments in order to determine the Fe3+/ΣFe ratio of these materials. The selected archaeological glass samples cover the period 1st5th century AD in nine different sites of the North Western provinces of the Roman Empire. The fragments belong to two different compositional groups demonstrating a diachronic evolution: early Roman HMG (High Magnesia Glass) and Roman Imperial LMG (Low Magnesia Glass). The first group contains natural Fe levels (below 2 wt% as Fe2O3), while the LMG has concentrations above 5 wt%. This difference is also reflected by Fe3+/ΣFe values. Low iron glass was produced under strongly reducing conditions in order to obtain the black colour, with average Fe3+/ΣFe values ≈ 0.17. LMG glass is somewhat more oxidised (Fe3+/ΣFe ≈ 0.40.5). While HMG glass required active control of the furnace environment, LMG was made under ambient atmosphere and its higher oxidation degree is mainly determined by the chemistry of the raw glass.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000333524200032	Publication Date	2014-02-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1759-9660	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.9	Times cited	14	Open Access
	Notes	; The authors are grateful to the staff of beamline L in HASYLAB for their helpful support. The research leading to these results has received funding from the European Union Seventh Framework Programme FP7/2007-2013 under grant agreement no. 265010. Support from the University of Antwerp Research Council through GOA Programme “XANES meets ELNES” is gratefully acknowledged. This work was partly supported by the Research Council of Norway through its Centres of Excellence funding scheme, project number 223268/F50. We would like to thank M. P. Riccardi and E. Basso of the University of Pavia and R. Falcone of the Stazione Sperimentale del Vetro who provided us with the reference glasses. ;			Approved	Most recent IF: 1.9; 2014 IF: 1.821
	Call Number	UA @ admin @ c:irua:116596			Serial	5919
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	Author	da Silva, A.L.C.; Candido, L.; Teixeira Rabelo, J.N.; Hai, G.-Q.; Peeters, F.M.
	Title	Anharmonic effects on thermodynamic properties of a graphene monolayer			Type	A1 Journal article
	Year	2014	Publication	Europhysics letters	Abbreviated Journal	Epl-Europhys Lett
	Volume	107	Issue	5	Pages	56004
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We extend the unsymmetrized self-consistent-field method (USF) for anharmonic crystals to layered non-Bravais crystals to investigate structural, dynamical and thermodynamic properties of a free-standing graphene monolayer. In this theory, the main anharmonicity of the crystal lattice has been included and the quantum corrections are taken into account in an h-expansion for the one-particle density matrix. The obtained result for the thermal expansion coefficient (TEC) of graphene shows a strong temperature dependence and agrees with experimental results by Bao et al. (Nat. Nanotechnol., 4 (2009) 562). The obtained value of TEC at room temperature (300 K) is -6.4 x 10(- 6) K- 1 and it becomes positive for T > T-alpha = 358K. We find that quantum effects are significant for T < 1000 K. The interatomic distance, effective amplitudes of the graphene lattice vibrations, adiabatic and isothermal bulk moduli, isobaric and isochoric heat capacities are also calculated and their temperature dependences are determined. Copyright (C) EPLA, 2014
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Paris	Editor
	Language		Wos	000341559900020	Publication Date	2014-09-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0295-5075;1286-4854;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.957	Times cited	23	Open Access
	Notes	; This research was supported by the Brazilian agencies CNPq, FAPEG and FAPESP, the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. ;			Approved	Most recent IF: 1.957; 2014 IF: 2.095
	Call Number	UA @ lucian @ c:irua:119289			Serial	118
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	Author	Samal, D.; Tan, H.; Takamura, Y.; Siemons, W.; Verbeeck, J.; Van Tendeloo, G.; Arenholz, E.; Jenkins, C.A.; Rijnders, G.; Koster, G.
	Title	Direct structural and spectroscopic investigation of ultrathin films of tetragonal CuO: Six-fold coordinated copper			Type	A1 Journal article
	Year	2014	Publication	Europhysics letters	Abbreviated Journal	Epl-Europhys Lett
	Volume	105	Issue	1	Pages	17003-17005
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Unlike other 3d transition metal monoxides (MnO, FeO, CoO, and NiO), CuO is found in a low-symmetry distorted monoclinic structure rather than the rocksalt structure. We report here of the growth of ultrathin CuO films on SrTiO3 substrates; scanning transmission electron microscopy was used to show the stabilization of a tetragonal rocksalt structure with an elongated c-axis such that c/a similar to 1.34 and the Cu-O-Cu bond angle similar to 180 degrees, pointing to metastable six-fold coordinated Cu. X-ray absorption spectroscopy demonstrates that the hole at the Cu site for the CuO is localized in 3d(x2-y2) orbital unlike the well-studied monoclinic CuO phase. The experimental confirmation of the tetragonal structure of CuO opens up new avenues to explore electronic and magnetic properties of six-fold coordinated Cu. Copyright (C) EPLA, 2014
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Paris	Editor
	Language		Wos	000331197100015	Publication Date	2014-01-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0295-5075;1286-4854;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.957	Times cited	15	Open Access
	Notes	This work was carried out with financial support from the AFOSR and EOARD projects (project No.: FA8655-10-1-3077) and also supported by funding from the European Research Council under the 7th Framework Program (FP7), ERC grant No. 246791 – COUNTATOMS, ERC Starting Grant 278510 VORTEX, Grant No. NMP3-LA-2010-246102 IFOX and an Integrated Infrastructure Initiative, reference No. 312483-ESTEEM2. The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. Advanced Light Source is supported by the Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy (DOE) under Contract No. DE-AC02-05CH11231. YT acknowledges support from the National Science Foundation (DMR-0747896). WS was supported by the US DOE, Basic Energy Sciences, Materials Sciences and Engineering Division. ECASJO_;			Approved	Most recent IF: 1.957; 2014 IF: 2.095
	Call Number	UA @ lucian @ c:irua:115806UA @ admin @ c:irua:115806			Serial	722
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	Author	Zha, G.-Q.; Peeters, F.M.; Zhou, S.-P.
	Title	Vortex-antivortex dynamics in mesoscopic symmetric and asymmetric superconducting loops with an applied ac current			Type	A1 Journal article
	Year	2014	Publication	Europhysics letters	Abbreviated Journal	Epl-Europhys Lett
	Volume	108	Issue	5	Pages	57001
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	In the framework of the time-dependent Ginzburg-Landau formalism, we study the dynamics of vortex-antivortex (V-Av) pairs in mesoscopic symmetric and asymmetric superconducting loops under an applied ac current. In contrast to the case of a constant biasing dc current, the process of the V-Av collision and annihilation is strongly affected by the time-periodic ac signal. As the direction of the applied ac current is reversed, the existed V-Av pair moves backward and then collides with a new created Av-V pair in a symmetric loop. In the presence of an appropriate external magnetic field, a novel sinusoidal-like oscillatory mode of the magnetization curve is observed, and the periodic dynamical process of the V-Av annihilation occurs in both branches of the sample. Moreover, for the asymmetric sample with an off-centered hole the creation point of the V-Av pair shifts away from the center of the sample, and the creation and annihilation dynamics of V-Av pairs turns out to be very different from the symmetric case. Copyright (C) EPLA, 2014
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Paris	Editor
	Language		Wos	000346792400027	Publication Date	2014-11-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0295-5075;1286-4854;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.957	Times cited	4	Open Access
	Notes	; We are grateful to GOLIBJON BERDIYOROV for useful discussions. This work was supported by NSF China under Grant Nos. 61371020 and 61271163, by Visiting Scholar Program of Shanghai Municipal Education Commission, by Innovation Program of Shanghai Municipal Education Commission under Grant No. 13YZ006, and by Flemish Science Foundation (FWO-Vl). ;			Approved	Most recent IF: 1.957; 2014 IF: 2.095
	Call Number	UA @ lucian @ c:irua:122800			Serial	3851
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	Author	Martinez, G.T.; de Backer, A.; Rosenauer, A.; Verbeeck, J.; Van Aert, S.
	Title	The effect of probe inaccuracies on the quantitative model-based analysis of high angle annular dark field scanning transmission electron microscopy images			Type	A1 Journal article
	Year	2014	Publication	Micron	Abbreviated Journal	Micron
	Volume	63	Issue		Pages	57-63
	Keywords	A1 Journal article; Engineering Management (ENM); Electron microscopy for materials research (EMAT)
	Abstract	Quantitative structural and chemical information can be obtained from high angle annular dark field scanning transmission electron microscopy (HAADF STEM) images when using statistical parameter estimation theory. In this approach, we assume an empirical parameterized imaging model for which the total scattered intensities of the atomic columns are estimated. These intensities can be related to the material structure or composition. Since the experimental probe profile is assumed to be known in the description of the imaging model, we will explore how the uncertainties in the probe profile affect the estimation of the total scattered intensities. Using multislice image simulations, we analyze this effect for Cs corrected and non-Cs corrected microscopes as a function of inaccuracies in cylindrically symmetric aberrations, such as defocus and spherical aberration of third and fifth order, and non-cylindrically symmetric aberrations, such as 2-fold and 3-fold astigmatism and coma.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000338402500011	Publication Date	2014-01-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0968-4328;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.98	Times cited	25	Open Access
	Notes	FWO (G.0393.11; G.0064.10; G.0374.13; G.0044.13); European Research Council under the 7th Framework Program (FP7); ERC GrantNo. 246791-COUNTATOMS and ERC Starting Grant No. 278510-VORTEX. A.R. thanks the DFG under contract number RO2057/8-1.The research leading to these results has received funding fromthe European Union 7th Framework Programme [FP7/2007-2013]under grant agreement no. 312483 (ESTEEM2).; esteem2ta ECASJO;			Approved	Most recent IF: 1.98; 2014 IF: 1.988
	Call Number	UA @ lucian @ c:irua:113857UA @ admin @ c:irua:113857			Serial	831
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	Author	Buczyńska, A.J.; Geypens, B.; Van Grieken, R.; De Wael, K.
	Title	Large-volume injection combined with gas chromatography/isotope ratio mass spectrometry for the analysis of polycyclic aromatic hydrocarbons			Type	A1 Journal article
	Year	2014	Publication	Rapid communications in mass spectrometry	Abbreviated Journal	Rapid Commun Mass Sp
	Volume	28	Issue	1	Pages	1-9
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	RATIONALE: Compound-specific stable isotope analyses of carbon require relatively large amounts of sample for reliable analyses. Commonly applied injections of 1 μL may thus be inefficient for samples with low concentrations of pollutants (e.g. air particulate matter) or when the amount of a sample is limited. METHODS: A Large-Volume Injection (LVI) method for carbon stable isotope ratio analysis of Polycyclic Aromatic Hydrocarbons (PAHs) was optimized in this study. Gas chromatography/combustion/isotope ratio mass spectrometry (GCCIRMS) and ion trap mass spectrometry (ITMS) were used for the determination of stable carbon isotope ratios and quantification of compounds, respectively. RESULTS: The optimized method resulted in very good reproducibility, even for the most volatile PAH, naphthalene, when a small amount of higher boiling co-solvent was used. No significant fractionation of isotope ratios could be seen and the recoveries of analytes were similar to or better than that of a splitless cold injection. CONCLUSIONS: Injection of 100 μL, instead of the commonly used 1 μL, increases the detection limit for PAHs significantly and/or simplifies the sample preparation step. Using our optimized method, stable carbon isotope ratios can be reliably measured in samples with concentrations of PAHs down to 0.050.1 ng μL1.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000328248300007	Publication Date	2013-12-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0951-4198	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.998	Times cited	5	Open Access
	Notes	; ;			Approved	Most recent IF: 1.998; 2014 IF: 2.253
	Call Number	UA @ admin @ c:irua:111677			Serial	5689
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	Author	Snoeck, E.; Van Tendeloo, G.
	Title	Networking strategies of the microscopy community for improved utilisation of advanced instruments : (3) two European initiatives to support TEM infrastructures and promote electron microscopy over Europe, ESTEEM (20062011) and ESTEEM 2 (20122016)			Type	A1 Journal article
	Year	2014	Publication	Comptes rendus : physique	Abbreviated Journal	Cr Phys
	Volume	15	Issue	2-3	Pages	281-284
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The ESTEEM consortium of electron microscopy laboratories for materials science and solid-state physics has been created as an EU-supported delocalized infrastructure (I3) to bring together the major electron microscopy centres in Europe. Its main objectives were to develop networking, to offer transnational access to these centres with specialized and complementary techniques and skills and to upgrade in close collaboration different technical and methodological aspects such as tomography, spectroscopy, holography, detectors, and specimen holders. These efforts were aimed to strengthen the position of European microscopy and to generate new technologies potentially of high relevance in many domains identified as strategic. Following the success of the first program, ESTEEM has been reconducted in 2012 for four more years with an enlarged set of partners.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Paris	Editor
	Language		Wos	000334013600017	Publication Date	2014-01-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1631-0705;	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	2.048	Times cited		Open Access
	Notes				Approved	Most recent IF: 2.048; 2014 IF: 2.035
	Call Number	UA @ lucian @ c:irua:115550			Serial	2293
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	Author	Bals, S.; Goris, B.; Altantzis, T.; Heidari, H.; Van Aert, S.; Van Tendeloo, G.
	Title	Seeing and measuring in 3D with electrons			Type	A1 Journal article
	Year	2014	Publication	Comptes rendus : physique	Abbreviated Journal	Cr Phys
	Volume	15	Issue	2-3	Pages	140-150
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Modern TEM enables the investigation of nanostructures at the atomic scale. However, TEM images are only two-dimensional (2D) projections of a three-dimensional (3D) object. Electron tomography can overcome this limitation. The technique is increasingly focused towards quantitative measurements and reaching atomic resolution in 3D has been the ultimate goal for many years. Therefore, one needs to optimize the acquisition of the data, the 3D reconstruction techniques as well as the quantification methods. Here, we will review a broad range of methodologies and examples. Finally, we will provide an outlook and will describe future challenges in the field of electron tomography.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Paris	Editor
	Language		Wos	000334013600005	Publication Date	2014-01-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1631-0705;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.048	Times cited	15	Open Access	OpenAccess
	Notes	(FWO;Belgium); European Research Council under the 7th Framework Program (FP7); ERC grant No.246791 – COUNTATOMS; ERC grant No.335078 – COLOURATOMS; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot);			Approved	Most recent IF: 2.048; 2014 IF: 2.035
	Call Number	UA @ lucian @ c:irua:113855			Serial	2960
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	Author	Verbeeck, J.; Guzzinati, G.; Clark, L.; Juchtmans, R.; Van Boxem, R.; Tian, H.; Béché, A.; Lubk, A.; Van Tendeloo, G.
	Title	Shaping electron beams for the generation of innovative measurements in the (S)TEM			Type	A1 Journal article
	Year	2014	Publication	Comptes rendus : physique	Abbreviated Journal	Cr Phys
	Volume	15	Issue	2-3	Pages	190-199
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	In TEM, a typical goal consists of making a small electron probe in the sample plane in order to obtain high spatial resolution in scanning transmission electron microscopy. In order to do so, the phase of the electron wave is corrected to resemble a spherical wave compensating for aberrations in the magnetic lenses. In this contribution, we discuss the advantage of changing the phase of an electron wave in a specific way in order to obtain fundamentally different electron probes opening up new applications in the (S)TEM. We focus on electron vortex states as a specific family of waves with an azimuthal phase signature and discuss their properties, production and applications. The concepts presented here are rather general and also different classes of probes can be obtained in a similar fashion, showing that electron probes can be tuned to optimize a specific measurement or interaction.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Paris	Editor
	Language		Wos	000334013600009	Publication Date	2014-02-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1631-0705;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.048	Times cited	22	Open Access
	Notes	Vortex ECASJO_;			Approved	Most recent IF: 2.048; 2014 IF: 2.035
	Call Number	UA @ lucian @ c:irua:116946UA @ admin @ c:irua:116946			Serial	2992
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	Author	Zhang, Y.; Jiang, W.; Zhang, Q.Z.; Bogaerts, A.
	Title	Computational study of plasma sustainability in radio frequency micro-discharges			Type	A1 Journal article
	Year	2014	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	115	Issue	19	Pages	193301-193311
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	We apply an implicit particle-in-cell Monte-Carlo (PIC-MC) method to study a radio-frequency argon microdischarge at steady state in the glow discharge limit, in which the microdischarge is sustained by secondary electron emission from the electrodes. The plasma density, electron energy distribution function (EEDF), and electron temperature are calculated in a wide range of operating conditions, including driving voltage, microdischarge gap, and pressure. Also, the effect of gap size scaling (in the range of 50-1000 μm) on the plasma sustaining voltage and peak electron density at atmospheric pressure is examined, which has not been explored before. In our simulations, three different EEDFs, i.e., a so-called three temperature hybrid mode, a two temperature α mode, and a two temperature γ mode distribution, are identified at different gaps and voltages. The maximum sustaining voltage to avoid a transition from the glow mode to an arc is predicted, as well as the minimum sustaining voltage for a steady glow discharge. Our calculations elucidate that secondary electrons play an essential role in sustaining the discharge, and as a result the relationship between breakdown voltage and gap spacing is far away from the Paschen law at atmospheric pressure.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000336920200010	Publication Date	2014-05-16
	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	11	Open Access
	Notes				Approved	Most recent IF: 2.068; 2014 IF: 2.183
	Call Number	UA @ lucian @ c:irua:116948			Serial	458
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	Author	Zhang, Q.-Z.; Wang, Y.-N.; Bogaerts, A.
	Title	Heating mode transition in a hybrid direct current/dual-frequency capacitively coupled CF₄ discharge			Type	A1 Journal article
	Year	2014	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	115	Issue	22	Pages	223302-223306
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	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.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000337891800006	Publication Date	2014-06-11
	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	9	Open Access
	Notes				Approved	Most recent IF: 2.068; 2014 IF: 2.183
	Call Number	UA @ lucian @ c:irua:117347			Serial	1414
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	Author	Smets, Q.; Verreck, D.; Verhulst, A.S.; Rooyackers, R.; Merckling, C.; Van De Put, M.; Simoen, E.; Vandervorst, W.; Collaert, N.; Thean, V.Y.; Sorée, B.; Groeseneken, G.; Heyns, M.M.;
	Title	InGaAs tunnel diodes for the calibration of semi-classical and quantum mechanical band-to-band tunneling models			Type	A1 Journal article
	Year	2014	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	115	Issue	18	Pages	184503-184509
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Promising predictions are made for III-V tunnel-field-effect transistor (FET), but there is still uncertainty on the parameters used in the band-to-band tunneling models. Therefore, two simulators are calibrated in this paper; the first one uses a semi-classical tunneling model based on Kane's formalism, and the second one is a quantum mechanical simulator implemented with an envelope function formalism. The calibration is done for In0.53Ga0.47As using several p+/intrinsic/n+ diodes with different intrinsic region thicknesses. The dopant profile is determined by SIMS and capacitance-voltage measurements. Error bars are used based on statistical and systematic uncertainties in the measurement techniques. The obtained parameters are in close agreement with theoretically predicted values and validate the semi-classical and quantum mechanical models. Finally, the models are applied to predict the input characteristics of In0.53Ga0.47As n- and p-lineTFET, with the n-lineTFET showing competitive performance compared to MOSFET.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000336919400048	Publication Date	2014-05-14
	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	34	Open Access
	Notes	; Quentin Smets and Devin Verreck gratefully acknowledge the support of a Ph. D. stipend from IWT-Vlaanderen. This work was supported by imec's industrial affiliation program. The authors thank Kim Baumans, Johan Feyaerts, Johan De Cooman, Alireza Alian, and Jos Moonens for their support in process development; Bastien Douhard and Joris Delmotte for SIMS characterization; Alain Moussa for AFM characterization; Joris Van Laer and Tom Daenen for their support in electrical characterization; Kuo-Hsing Kao, Mehbuba Tanzid, and Ali Pourghaderi for their support in modeling. ;			Approved	Most recent IF: 2.068; 2014 IF: 2.183
	Call Number	UA @ lucian @ c:irua:118009			Serial	1667
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	Author	Milovanović, S.P.; Masir, M.R.; Peeters, F.M.
	Title	Magnetic electron focusing and tuning of the electron current with a pn-junction			Type	A1 Journal article
	Year	2014	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	115	Issue	4	Pages	043719-6
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Transverse magnetic focusing properties of graphene using a ballistic four terminal structure are investigated. The electric response is obtained using the semiclassical billiard model. The transmission exhibits pronounced peaks as a consequence of skipping orbits at the edge of the structure. When we add a pn-junction between the two probes, snake states along the pn-interface appear. Injected electrons are guided by the pn-interface to one of the leads depending on the value of the applied magnetic field. Oscillations in the resistance are found depending on the amount of particles that end up in each lead.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000331210800066	Publication Date	2014-01-30
	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	21	Open Access
	Notes	This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN, and the Methusalem Foundation of the Flemish government.			Approved	Most recent IF: 2.068; 2014 IF: 2.183
	Call Number	UA @ lucian @ c:irua:115801			Serial	1866
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	Author	Sen, H.S.; Sahin, H.; Peeters, F.M.; Durgun, E.
	Title	Monolayers of MoS2 as an oxidation protective nanocoating material			Type	A1 Journal article
	Year	2014	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	116	Issue	8	Pages	083508
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	First-principle calculations are employed to investigate the interaction of oxygen with ideal and defective MoS2 monolayers. Our calculations show that while oxygen atoms are strongly bound on top of sulfur atoms, the oxygen molecule only weakly interacts with the surface. The penetration of oxygen atoms and molecules through a defect-free MoS2 monolayer is prevented by a very high diffusion barrier indicating that MoS2 can serve as a protective layer for oxidation. The analysis is extended to WS2 and similar coating characteristics are obtained. Our calculations indicate that ideal and continuous MoS2 and WS2 monolayers can improve the oxidation and corrosion-resistance of the covered surface and can be considered as an efficient nanocoating material. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000342821600017	Publication Date	2014-08-27
	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	52	Open Access
	Notes	; This work was supported by the bilateral project between TUBITAK (through Grant No. 113T050) and Flemish Science Foundation (FWO-Vl). The calculations were performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). E.D. acknowledges support from Bilim Akademisi-The Science Academy, Turkey under the BAGEP program. H.S. is supported by an FWO Pegasus-long Marie Curie Fellowship. ;			Approved	Most recent IF: 2.068; 2014 IF: 2.183
	Call Number	UA @ lucian @ c:irua:121101			Serial	2194
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	Author	Wen, D.-Q.; Zhang, Q.-Z.; Jiang, W.; Song, U.-H.; Bogaerts, A.; Wang, Y.-N.
	Title	Phase modulation in pulsed dual-frequency capacitively coupled plasmas			Type	A1 Journal article
	Year	2014	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	115	Issue	23	Pages	233303
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	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.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000338106000008	Publication Date	2014-06-23
	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	8	Open Access
	Notes				Approved	Most recent IF: 2.068; 2014 IF: 2.183
	Call Number	UA @ lucian @ c:irua:117415			Serial	2585
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	Author	Verreck, D.; Van de Put, M.; Sorée, B.; Verhulst, A.S.; Magnus, W.; Vandenberghe, W.G.; Collaert, N.; Thean, A.; Groeseneken, G.
	Title	Quantum mechanical solver for confined heterostructure tunnel field-effect transistors			Type	A1 Journal article
	Year	2014	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	115	Issue	5	Pages	053706-53708
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Heterostructure tunnel field-effect transistors (HTFET) are promising candidates for low-power applications in future technology nodes, as they are predicted to offer high on-currents, combined with a sub-60 mV/dec subthreshold swing. However, the effects of important quantum mechanical phenomena like size confinement at the heterojunction are not well understood, due to the theoretical and computational difficulties in modeling realistic heterostructures. We therefore present a ballistic quantum transport formalism, combining a novel envelope function approach for semiconductor heterostructures with the multiband quantum transmitting boundary method, which we extend to 2D potentials. We demonstrate an implementation of a 2-band version of the formalism and apply it to study confinement in realistic heterostructure diodes and p-n-i-n HTFETs. For the diodes, both transmission probabilities and current densities are found to decrease with stronger confinement. For the p-n-i-n HTFETs, the improved gate control is found to counteract the deterioration due to confinement. (C) 2014 AIP Publishing LLC.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000331645900040	Publication Date	2014-02-05
	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	15	Open Access
	Notes	; D. Verreck acknowledges the support of a Ph.D. stipend from the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen). This work was supported by imec's Industrial Affiliation Program. ;			Approved	Most recent IF: 2.068; 2014 IF: 2.183
	Call Number	UA @ lucian @ c:irua:115825			Serial	2780
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	Author	Moors, K.; Sorée, B.; Tokei, Z.; Magnus, W.
	Title	Resistivity scaling and electron relaxation times in metallic nanowires			Type	A1 Journal article
	Year	2014	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	116	Issue	6	Pages	063714
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We study the resistivity scaling in nanometer-sized metallic wires due to surface roughness and grain-boundaries, currently the main cause of electron scattering in nanoscaled interconnects. The resistivity has been obtained with the Boltzmann transport equation, adopting the relaxation time approximation of the distribution function and the effective mass approximation for the conducting electrons. The relaxation times are calculated exactly, using Fermi's golden rule, resulting in a correct relaxation time for every sub-band state contributing to the transport. In general, the relaxation time strongly depends on the sub-band state, something that remained unclear with the methods of previous work. The resistivity scaling is obtained for different roughness and grain-boundary properties, showing large differences in scaling behavior and relaxation times. Our model clearly indicates that the resistivity is dominated by grain-boundary scattering, easily surpassing the surface roughness contribution by a factor of 10. (C) 2014 AIP Publishing LLC.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000341179400036	Publication Date	2014-08-15
	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	17	Open Access
	Notes	; ;			Approved	Most recent IF: 2.068; 2014 IF: 2.183
	Call Number	UA @ lucian @ c:irua:119260			Serial	2882
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	Author	Chen, Z.; Bogaerts, A.
	Title	Response to “Comment on 'Laser ablation of Cu and plume expansion into 1 atm ambient gas'” [J. Appl. Phys. 115, 166101 (2014)]			Type	Editorial
	Year	2014	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	115	Issue	16	Pages	166102
	Keywords	Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000335228400092	Publication Date	2014-05-01
	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	1	Open Access
	Notes				Approved	Most recent IF: 2.068; 2014 IF: 2.183
	Call Number	UA @ lucian @ c:irua:117171			Serial	2898
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	Author	Kao, K.-H.; Verhulst, A.S.; Van de Put, M.; Vandenberghe, W.G.; Sorée, B.; Magnus, W.; De Meyer, K.
	Title	Tensile strained Ge tunnel field-effect transistors: k\cdot p material modeling and numerical device simulation			Type	A1 Journal article
	Year	2014	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	115	Issue	4	Pages	044505-44508
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Group IV based tunnel field-effect transistors generally show lower on-current than III-V based devices because of the weaker phonon-assisted tunneling transitions in the group IV indirect bandgap materials. Direct tunneling in Ge, however, can be enhanced by strain engineering. In this work, we use a 30-band k.p method to calculate the band structure of biaxial tensile strained Ge and then extract the bandgaps and effective masses at Gamma and L symmetry points in k-space, from which the parameters for the direct and indirect band-to-band tunneling (BTBT) models are determined. While transitions from the heavy and light hole valence bands to the conduction band edge at the L point are always bridged by phonon scattering, we highlight a new finding that only the light-holelike valence band is strongly coupling to the conduction band at the Gamma point even in the presence of strain based on the 30-band k.p analysis. By utilizing a Technology Computer Aided Design simulator equipped with the calculated band-to-band tunneling BTBT models, the electrical characteristics of tensile strained Ge point and line tunneling devices are self-consistently computed considering multiple dynamic nonlocal tunnel paths. The influence of field-induced quantum confinement on the tunneling onset is included. Our simulation predicts that an on-current up to 160 (260) mu A/mu m can be achieved along with on/off ratio > 10(6) for V-DD = 0.5V by the n-type (p-type) line tunneling device made of 2.5% biaxial tensile strained Ge. (C) 2014 AIP Publishing LLC.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000331210800113	Publication Date	2014-01-26
	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	26	Open Access
	Notes	; Authors would like to thank Dr. Mohammad Ali Pourghaderi for useful discussions on the nonparabolicity. Authors would also like to thank Professor Eddy Simoen and Dr. Yosuke Shimura for useful discussions about the validity of modeled bandgaps and effective masses. This work was also supported by IMEC's Industrial Affiliation Program. ;			Approved	Most recent IF: 2.068; 2014 IF: 2.183
	Call Number	UA @ lucian @ c:irua:115800			Serial	3505
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	Author	Boulay, E.; Ragoen, C.; Idrissi, H.; Schryvers, D.; Godet, S.
	Title	Influence of amorphous phase separation on the crystallization behavior of glass-ceramics in the BaO-TiO₂-SiO₂ system			Type	A1 Journal article
	Year	2014	Publication	Journal of non-crystalline solids	Abbreviated Journal	J Non-Cryst Solids
	Volume	384	Issue		Pages	61-72
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The possible role of a prior amorphous phase separation on the subsequent crystallization has been the topic of vigorous debates over the last decades and has not yet been clarified, especially regarding the role of the interfaces created by the phase separation. This study proposes to focus on the interplay between a prior amorphous phase separation and the crystallization of fresnoite in the BaO-TiO2-SiO2 system. The crystallization behavior of a non-stoichiometric composition inside the miscibility gap (called APS) is compared with the stoichiometric composition (called FRES) and a non-stoichiometric composition outside the miscibility gap (called NoAPS). The crystallization mechanisms are compared using differential thermal analysis (DTA) by calculating the Avrami parameters and the activation energies as a function of the particle size. The DTA study shows that the two non-stoichiometric compositions exhibit a pronounced surface crystallization behavior whereas FRES undergoes bulk nucleation. This is supported by a multi-scale microstructure characterization. Furthermore, this study demonstrates that the amorphous phase separation and the associated interfaces do not play any significant role in the nucleation step. Moreover, transmission electron microscope (TEM) and local orientation measurements show that the growth of the dendrites is not hindered by the SiO2-rich droplets. The final stage of crystallization of APS is tentatively explained by two composition effects that must be further investigated: the viscosity effect and the formation of a eutectic. (C) 2013 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000329422400010	Publication Date	2013-07-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-3093;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.124	Times cited	10	Open Access
	Notes				Approved	Most recent IF: 2.124; 2014 IF: 1.766
	Call Number	UA @ lucian @ c:irua:114782			Serial	1614
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	Author	Scalise, E.; Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A.
	Title	First-principles study of strained 2D MoS₂			Type	A1 Journal article
	Year	2014	Publication	Physica. E: Low-dimensional systems and nanostructures	Abbreviated Journal	Physica E
	Volume	56	Issue		Pages	416-421
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The electronic and vibrational properties of 2D honeycomb structures of molybdenum disulfide (MoS2) subjected to strain have been investigated using first-principles calculations based on density functional theory. We have studied the evolution of the electronic properties of bulk and layered MoS2, going down from a few layers up to a mono-layer, and next investigated the effect of bi-axial strain on their electronic structure and vibrational frequencies. Both for tensile and compressive biaxial strains, the shrinking of the energy band-gap of MoS2 with increasing level of applied strain is observed and a transition limit of the system from semiconducting to metallic is predicted to occur for strains in the range of 8-10%. We also found a progressive downshift (upshift) of both the E-2g(1) and A(1g) Raman active modes with increasing level of applied tensile (compressive) strain. Interestingly, significant changes in the curvature of the conduction and valence band near their extrema upon the application of strain are also predicted, with correlated variations of the electron and hole effective masses. These changes present interesting possibilities for engineering the electronic properties of 2D structures of MoS2. (C) 2012 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher	North-Holland	Place of Publication	Amsterdam	Editor
	Language		Wos	000330815800070	Publication Date	2012-08-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1386-9477;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.221	Times cited	72	Open Access
	Notes				Approved	Most recent IF: 2.221; 2014 IF: 2.000
	Call Number	UA @ lucian @ c:irua:115761			Serial	1220
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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
	Corporate Author				Thesis
	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				Approved	Most recent IF: 2.232; 2014 IF: 2.031
	Call Number	UA @ lucian @ c:irua:118385			Serial	684
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	Author	Miglio, A.; Saniz, R.; Waroquiers, D.; Stankovski, M.; Giantomassi, M.; Hautier, G.; Rignanese, G.-M.; Gonze, X.
	Title	Computed electronic and optical properties of SnO₂ under compressive stress			Type	A1 Journal article
	Year	2014	Publication	Optical materials	Abbreviated Journal	Opt Mater
	Volume	38	Issue		Pages	161-166
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	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.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000346228800028	Publication Date	2014-11-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0925-3467;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.238	Times cited	6	Open Access
	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
	Call Number	UA @ lucian @ c:irua:122747			Serial	460
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