Records |
Author |
Milošević, M.V.; Peeters, F.M. |
Title |
Field-enhanced critical parameters in magnetically nanostructured superconductors |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Europhysics letters |
Abbreviated Journal |
Epl-Europhys Lett |
Volume |
70 |
Issue |
5 |
Pages |
670-676 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Paris |
Editor |
|
Language |
|
Wos |
000229819000016 |
Publication Date |
2005-04-28 |
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 |
40 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.957; 2005 IF: 2.237 |
Call Number |
UA @ lucian @ c:irua:57247 |
Serial |
1191 |
Permanent link to this record |
|
|
|
Author |
Schweigert, V.A.; Peeters, F.M. |
Title |
Filed-cooled vortex states in mesoscopic superconducting samples |
Type |
A1 Journal article |
Year |
2000 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
Volume |
180 |
Issue |
|
Pages |
426-431 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000087245200080 |
Publication Date |
2002-07-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0921-4534; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.404 |
Times cited |
17 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.404; 2000 IF: 1.489 |
Call Number |
UA @ lucian @ c:irua:28523 |
Serial |
1193 |
Permanent link to this record |
|
|
|
Author |
Van Tendeloo, G.; Richard, O.; Schuddinck, W.; Hervieu, M. |
Title |
Fine structure of CMR perovskites by HREM and CBEM |
Type |
A1 Journal article |
Year |
1998 |
Publication |
Electron microscopy: vol. 1 |
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
383-384 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000077017600178 |
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
|
ISBN |
|
Additional Links |
UA library record; WoS full record; |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:25674 |
Serial |
1194 |
Permanent link to this record |
|
|
|
Author |
Freire, J.A.K.; Matulis, A.; Peeters, F.M.; Freire, V.N.; Farias, G.A. |
Title |
Fine structure of excitons in a quantum well in the presence of a non-homogeneous magnetic field |
Type |
A1 Journal article |
Year |
2000 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
62 |
Issue |
|
Pages |
7316-7324 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000089413500083 |
Publication Date |
2002-07-27 |
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 |
14 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2000 IF: NA |
Call Number |
UA @ lucian @ c:irua:34353 |
Serial |
1195 |
Permanent link to this record |
|
|
|
Author |
Berdiyorov, G.R.; Elmurodov, A.K.; Peeters, F.M.; Vodolazov, D.Y. |
Title |
Finite-size effect on the resistive state in a mesoscopic type-II superconducting stripe |
Type |
A1 Journal article |
Year |
2009 |
Publication |
Physical review : B : solid state |
Abbreviated Journal |
Phys Rev B |
Volume |
79 |
Issue |
17 |
Pages |
174506,1-174506,6 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Within the time-dependent Ginzburg-Landau (TDGL) theory we studied the creation of phase-slip lines and the interplay with a vortex lattice in a finite-length superconducting thin stripe with finite-size normal metal leads. In zero magnetic field and with increasing transport current phase-slip lines appear across the sample leading to distinct jumps in the current-voltage characteristics. When a magnetic field is applied, the moving vortex lattice becomes rearranged by the external current and fast and slow moving vortex channels are formed. Curved vortex channels are observed near the normal contacts. We found the remarkable result that at small applied magnetic field the normal-state transition current is increased as compared to the one at zero magnetic field. This effect is more pronounced for larger values of the parameter in the TDGL formalism. This unusual field-induced increase in the critical current is a consequence of the nonuniform distribution of the current in the sample. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000266501100096 |
Publication Date |
2009-05-05 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
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 |
36 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2009 IF: 3.475 |
Call Number |
UA @ lucian @ c:irua:77398 |
Serial |
1196 |
Permanent link to this record |
|
|
|
Author |
Lebedev, O.I.; Millange, F.; Serre, C.; Van Tendeloo, G.; Férey, G. |
Title |
First direct imaging of giant pores of the metal-organic framework MIL-101 |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
17 |
Issue |
26 |
Pages |
6525-6527 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
|
Wos |
000234187300007 |
Publication Date |
2005-12-20 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
191 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 9.466; 2005 IF: 4.818 |
Call Number |
UA @ lucian @ c:irua:56404 |
Serial |
1197 |
Permanent link to this record |
|
|
|
Author |
Devouard, B.; Baronnet, A.; Van Tendeloo, G.; Amelinckx, S. |
Title |
First evidence of synthetic polygonal serpentines |
Type |
A1 Journal article |
Year |
1997 |
Publication |
European journal of mineralogy |
Abbreviated Journal |
Eur J Mineral |
Volume |
9 |
Issue |
|
Pages |
539-546 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Stuttgart |
Editor |
|
Language |
|
Wos |
A1997XB31400008 |
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0935-1221 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.362 |
Times cited |
15 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.362; 1997 IF: 1.099 |
Call Number |
UA @ lucian @ c:irua:21431 |
Serial |
1198 |
Permanent link to this record |
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|
|
Author |
Pourtois, G.; Lauwers, A.; Kittl, J.; Pantisano, L.; Sorée, B.; De Gendt, S.; Magnus, W.; Heyns, A.; Maex, K. |
Title |
First-principle calculations on gate/dielectric interfaces : on the origin of work function shifts |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Microelectronic engineering |
Abbreviated Journal |
Microelectron Eng |
Volume |
80 |
Issue |
|
Pages |
272-279 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The impact of interfacial chemistry occurring at dielectric/gate interface of P-MOS and N-MOS devices is reviewed through a quick literature survey. A specific emphasis is put on the way the bond polarization that occurs between a dielectric and a metal substrate impacts on the gate work function. First-principle simulations are then used to study the work function changes induced by dopant aggregation in nickel monosilicide metal gates. It is shown that the changes are a natural consequence of the variation of the interface polarization. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000231517000062 |
Publication Date |
2005-06-05 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0167-9317; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.806 |
Times cited |
31 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.806; 2005 IF: 1.347 |
Call Number |
UA @ lucian @ c:irua:95095 |
Serial |
1199 |
Permanent link to this record |
|
|
|
Author |
Rosenauer, A.; Schowalter, M.; Glas, F.; Lamoen, D. |
Title |
First-principles calculations of 002 structure factors for electron scattering in strained InxGa1-xAs |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
Volume |
72 |
Issue |
8 |
Pages |
1-10 |
Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
Abstract |
This work provides values of electron scattering 002 structure factors for InxGa1-xAs as a function of the In concentration x=0 to 1. These results allow accurate compositional analysis of pseudomorphically grown InxGa1-xAs/GaAs layers by transmission electron microscopy methods relying on the chemical sensitivity of the (002) beam. The calculations go beyond the limits of the isolated atom approximation, because they take into account charge redistribution effects between atomic sites in the crystal, strain, and static atomic displacements. The computations were performed by the full potential linearized augmented plane-wave method using a generalized gradient approximation for the exchange and correlation part of the potential. The calculations of strained InxGa1-xAs correspond to the strain state in specimens with large, small, and intermediate thickness in the electron beam direction. Additionally, the effect of static atomic displacements is taken into account. All results are listed in a parameterized form. The calculated 002 structure factor vanishes at an In concentration of 16.4%. This value is in a good agreement with previously reported experimental measurements. Hence, our results are a significant improvement with respect to the isolated atom approximation which is conventionally applied in transmission electron microscopy simulations, and which predicts a value of 22.5%. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000231564600106 |
Publication Date |
2005-08-12 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
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 |
42 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2005 IF: 3.185 |
Call Number |
UA @ lucian @ c:irua:54918 |
Serial |
1201 |
Permanent link to this record |
|
|
|
Author |
Rosenauer, A.; Schowalter, M.; Glas, F.; Lamoen, D. |
Title |
First-principles calculations of 002 structure factors for electron scattering in strained InxGa1-xAs |
Type |
A1 Journal article |
Year |
2005 |
Publication |
|
Abbreviated Journal |
|
Volume |
107 |
Issue |
|
Pages |
151-154 |
Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Berlin |
Editor |
|
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0930-8989 |
ISBN |
|
Additional Links |
UA library record; WoS full record; |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:72916 |
Serial |
1202 |
Permanent link to this record |
|
|
|
Author |
Schowalter, M.; Lamoen, D.; Kruse, P.; Gerthsen, D.; Rosenauer, A. |
Title |
First-principles calculations of the mean inner Coulomb potential for sphalerite type II.VI semiconductors |
Type |
A1 Journal article |
Year |
2004 |
Publication |
Applied Physics Letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
85 |
Issue |
21 |
Pages |
4938-4940 |
Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000225300600037 |
Publication Date |
2004-11-24 |
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 |
16 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.411; 2004 IF: 4.308 |
Call Number |
UA @ lucian @ c:irua:49657 |
Serial |
1203 |
Permanent link to this record |
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|
|
Author |
Sivek, J. |
Title |
First-principles characterization and functionalization of graphene-like materials |
Type |
Doctoral thesis |
Year |
2015 |
Publication |
|
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
|
Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Antwerpen |
Editor |
|
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
|
ISBN |
|
Additional Links |
UA library record |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:125632 |
Serial |
1204 |
Permanent link to this record |
|
|
|
Author |
Titantah, J.T.; Lamoen, D. |
Title |
First-principles characterization of amorphous carbon nitride systems: structural and electronic properties |
Type |
A1 Journal article |
Year |
2006 |
Publication |
Physica status solidi: A: applied research |
Abbreviated Journal |
Phys Status Solidi A |
Volume |
203 |
Issue |
12 |
Pages |
3191-3197 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Berlin |
Editor |
|
Language |
|
Wos |
000240967400032 |
Publication Date |
2006-09-11 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1862-6300;1862-6319; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.775 |
Times cited |
3 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.775; 2006 IF: NA |
Call Number |
UA @ lucian @ c:irua:61003 |
Serial |
1205 |
Permanent link to this record |
|
|
|
Author |
Martin, J.M.L.; François, J.P.; Gijbels, R. |
Title |
First principles computation of thermo-chemical properties beyond the harmonic approximation: 1: method and application to the water molecule and its isotopomers |
Type |
A1 Journal article |
Year |
1992 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
Volume |
96 |
Issue |
10 |
Pages |
7633-7645 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
A1992HU55700047 |
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-9606 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.952 |
Times cited |
59 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:4195 |
Serial |
1206 |
Permanent link to this record |
|
|
|
Author |
Martin, J.M.L.; François, J.P.; Gijbels, R. |
Title |
First principles computation of thermo-chemical properties beyond the harmonic approximation: 2: application to the amino radical and its isotopomers |
Type |
A1 Journal article |
Year |
1992 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
Volume |
97 |
Issue |
5 |
Pages |
3530-3536 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
A1992JL37200072 |
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-9606 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.952 |
Times cited |
22 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:4197 |
Serial |
1207 |
Permanent link to this record |
|
|
|
Author |
van den Broek, B.; Houssa, M.; Scalise, E.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. |
Title |
First-principles electronic functionalization of silicene and germanene by adatom chemisorption |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
Volume |
291 |
Issue |
|
Pages |
104-108 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
This study presents first-principles results on the electronic functionalization of silicene and germanene monolayers by means of chemisorption of adatom species H, Li, F, Sc, Ti, V. Three general adatom-monolayer configurations are considered, each having its distinct effect on the electronic structure, yielding metallic or semiconducting dispersions depending on the adatom species and configuration. The induced bandgap is a (in)direct F gap ranging from 0.2 to 2.3 eV for both silicene and germanene. In general the alternating configuration was found to be the most energetically stable. The boatlike and chairlike conformers are degenerate with the former having anisotropic effective carrier masses. The top configuration leads to the planar monolayer and predominately to a gapped dispersion. The hollow configuration with V adatoms retains the Dirac cone, but with strong orbital planar hybridization at the Fermi level. We also observe a planar surface state the Fermi level for the latter systems. (C) 2013 Elsevier B.V. All rights reserved. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000329327700023 |
Publication Date |
2013-09-17 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0169-4332; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.387 |
Times cited |
32 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.387; 2014 IF: 2.711 |
Call Number |
UA @ lucian @ c:irua:113766 |
Serial |
1208 |
Permanent link to this record |
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|
|
Author |
Dixit, H. |
Title |
First-principles electronic structure calculations of transparent conducting oxide materials |
Type |
Doctoral thesis |
Year |
2012 |
Publication |
|
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
|
Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Antwerpen |
Editor |
|
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
|
ISBN |
|
Additional Links |
UA library record |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:99490 |
Serial |
1209 |
Permanent link to this record |
|
|
|
Author |
Sankaran, K.; Pourtois, G.; Degraeve, R.; Zahid, M.B.; Rignanese, G.-M.; Van Houdt, J. |
Title |
First-principles modeling of intrinsic and extrinsic defects in \gamma-Al2O3 |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
97 |
Issue |
21 |
Pages |
212906 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The electronic properties of a set of intrinsic and extrinsic point defects in gamma-Al2O3 are investigated using quasiparticle calculations within the G(0)W(0) approximation. We find that the electronic signature of atomic vacancies lie deep in the band gap, close to the top of the valence band edge. The introduction of C, Si, and N impurities induces defective levels that are located close to the conduction band edge and near the middle of the band gap of the oxide. The comparison with electrical measurements reveals that the energy levels of some of these defects match with the electronic fingerprint of the defects reported in gamma-Al2O3 based nonvolatile memories. (C) 2010 American Institute of Physics. [doi:10.1063/1.3507385] |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000284618300039 |
Publication Date |
2010-11-24 |
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 |
12 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.411; 2010 IF: 3.841 |
Call Number |
UA @ lucian @ c:irua:105617 |
Serial |
1213 |
Permanent link to this record |
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|
|
Author |
Clima, S.; Chen, Y.Y.; Degraeve, R.; Mees, M.; Sankaran, K.; Govoreanu, B.; Jurczak, M.; De Gendt, S.; Pourtois, G. |
Title |
First-principles simulation of oxygen diffusion in HfOx : role in the resistive switching mechanism |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
100 |
Issue |
13 |
Pages |
133102-133102,4 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Transition metal oxide-based resistor random access memory (RRAM) takes advantage of oxygen-related defects in its principle of operation. Since the change in resistivity of the material is controlled by the oxygen deficiency level, it is of major importance to quantify the kinetics of the oxygen diffusion, key factor for oxide stoichiometry. Ab initio accelerated molecular dynamics techniques are employed to investigate the oxygen diffusivity in amorphous hafnia (HfOx, x = 1.97, 1.0, 0.5). The computed kinetics is in agreement with experimental measurements. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3697690] |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000302230800060 |
Publication Date |
2012-03-26 |
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 |
63 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.411; 2012 IF: 3.794 |
Call Number |
UA @ lucian @ c:irua:97786 |
Serial |
1214 |
Permanent link to this record |
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|
|
Author |
Amini, M. |
Title |
First-principles study of defects in transparent conducting oxide materials |
Type |
Doctoral thesis |
Year |
2014 |
Publication |
|
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
|
Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Antwerpen |
Editor |
|
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
|
ISBN |
|
Additional Links |
UA library record |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:113390 |
Serial |
1216 |
Permanent link to this record |
|
|
|
Author |
Peelaers, H.; Partoens, B.; Peeters, F.M. |
Title |
First-principles study of doped Si and Ge nanowires |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Physica. E: Low-dimensional systems and nanostructures |
Abbreviated Journal |
Physica E |
Volume |
40 |
Issue |
6 |
Pages |
2169-2171 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000255717400123 |
Publication Date |
2007-12-05 |
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 |
7 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.221; 2008 IF: 1.230 |
Call Number |
UA @ lucian @ c:irua:69134 |
Serial |
1217 |
Permanent link to this record |
|
|
|
Author |
Govaerts, K. |
Title |
First-principles study of homologous series of layered Bi-Sb-Te-Se and Sn-O structures |
Type |
Doctoral thesis |
Year |
2015 |
Publication |
|
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
|
Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Antwerpen |
Editor |
|
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
|
ISBN |
|
Additional Links |
UA library record |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:126206 |
Serial |
1218 |
Permanent link to this record |
|
|
|
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 |
Permanent link to this record |
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|
|
Author |
Zhang, Z.; Partoens, B.; Chang, K.; Peeters, F.M. |
Title |
First-principles study of transition metal impurities in Si |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
77 |
Issue |
15 |
Pages |
155201,1-8 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000255457400057 |
Publication Date |
2008-04-02 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
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 |
72 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2008 IF: 3.322 |
Call Number |
UA @ lucian @ c:irua:68846 |
Serial |
1221 |
Permanent link to this record |
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|
|
Author |
Cheng, K.; Leys, M.; Degroote, S.; van Daele, B.; Boeykens, S.; Derluyn, J.; Germain, M.; Van Tendeloo, G.; Engelen, J.; Borghs, G. |
Title |
Flat GaN epitaxial layers grown on Si(111) by metalorganic vapor phase epitaxy using step-graded AlGaN intermediate layers |
Type |
A1 Journal article |
Year |
2006 |
Publication |
Journal of electronic materials |
Abbreviated Journal |
J Electron Mater |
Volume |
35 |
Issue |
4 |
Pages |
592-598 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Boston, Mass. |
Editor |
|
Language |
|
Wos |
000237101800016 |
Publication Date |
2007-04-16 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0361-5235;1543-186X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.579 |
Times cited |
102 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.579; 2006 IF: 1.504 |
Call Number |
UA @ lucian @ c:irua:58238 |
Serial |
1223 |
Permanent link to this record |
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|
|
Author |
de Backer, J.W.; Vos, W.G.; Gorlé, C.D.; Germonpré, P.; Partoens, B.; Wuyts, F.L.; Parizel, P.M.; de Backer, W. |
Title |
Flow analyses in the lower airways: patient-specific model and boundary conditions |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Medical engineering and physics |
Abbreviated Journal |
Med Eng Phys |
Volume |
30 |
Issue |
7 |
Pages |
872-879 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP) |
Abstract |
Computational fluid dynamics (CFD) is increasingly applied in the respiratory domain. The ability to simulate the flow through a bifurcating tubular system has increased the insight into the internal flow dynamics and the particular characteristics of respiratory flows such as secondary motions and inertial effects. The next step in the evolution is to apply the technique to patient-specific cases, in order to provide more information about pathological airways. This study presents a patient-specific approach where both the geometry and the boundary conditions (BC) are based on individual imaging methods using computed tomography (CT). The internal flow distribution of a 73-year-old female suffering from chronic obstructive pulmonary disease (COPD) is assessed. The validation is performed through the comparison of lung ventilation with gamma scintigraphy. The results show that in order to obtain agreement within the accuracy limits of the gamma scintigraphy scan, both the patient-specific geometry and the BC (driving pressure) play a crucial role. A minimal invasive test (CT scan) supplied enough information to perform an accurate CFD analysis. In the end it was possible to capture the pathological features of the respiratory system using the imaging and computational fluid dynamics techniques. This brings the introduction of this new technique in the clinical practice one step closer. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000259768300009 |
Publication Date |
2007-12-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1350-4533; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.819 |
Times cited |
82 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.819; 2008 IF: 2.216 |
Call Number |
UA @ lucian @ c:irua:71693 |
Serial |
1224 |
Permanent link to this record |
|
|
|
Author |
De Bie, C.; Verheyde, B.; Martens, T.; van Dijk, J.; Paulussen, S.; Bogaerts, A. |
Title |
Fluid modeling of the conversion of methane into higher hydrocarbons in an atmospheric pressure dielectric barrier discharge |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
Volume |
8 |
Issue |
11 |
Pages |
1033-1058 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A one-dimensional fluid model for a dielectric barrier discharge in methane, used as a chemical reactor for gas conversion, is developed. The model describes the gas phase chemistry governing the conversion process of methane to higher hydrocarbons. The spatially averaged densities of the various plasma species as a function of time are discussed. Besides, the conversion of methane and the yields of the reaction products as a function of the residence time in the reactor are shown and compared with experimental data. Higher hydrocarbons (C2Hy and C3Hy) and hydrogen gas are typically found to be important reaction products. Furthermore, the main underlying reaction pathways are determined. |
Address |
|
Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
Language |
|
Wos |
000297745500005 |
Publication Date |
2011-07-11 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1612-8850; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.846 |
Times cited |
70 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.846; 2011 IF: 2.468 |
Call Number |
UA @ lucian @ c:irua:92443 |
Serial |
1227 |
Permanent link to this record |
|
|
|
Author |
Petrović, D.; Martens, T.; van Dijk, J.; Brok, W.J.M.; Bogaerts, A. |
Title |
Fluid modelling of an atmospheric pressure dielectric barrier discharge in cylindrical geometry |
Type |
A1 Journal article |
Year |
2009 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
Volume |
42 |
Issue |
20 |
Pages |
205206,1-205206,12 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A numerical parameter study has been performed for a cylindrical atmospheric pressure dielectric barrier discharge (DBD) in helium with nitrogen impurities using a two-dimensional time-dependent fluid model. The calculated electric currents and gap voltages as a function of time for a given applied potential are presented, as well as the number densities of the various plasma species. This study shows that for the geometry under consideration the applied voltage parameters have a large impact on the electric current profiles and that the discharge current is always determined by the electron and ion conduction currents while the displacement current is nearly negligible. A relative broadening of the current profiles (compared with the duration of the half cycle of the applied voltage) with an increase in the applied frequency is obtained. Nearly sinusoidal current wave forms, usually typical for radio frequency DBDs, are observed while still operating at the frequencies of tens of kilohertz. For the setup under investigation, the Townsend mode of the DBD is observed in the entire range of applied voltage amplitudes and frequencies. It is shown that the average power density dissipated in the discharge increases with rising applied voltage and frequency. An increase in applied voltage frequency leads to an increase in the electron density and a decrease in electron energy, while increasing the voltage amplitude has the opposite effect. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000270563200028 |
Publication Date |
2009-09-24 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.588 |
Times cited |
29 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.588; 2009 IF: 2.083 |
Call Number |
UA @ lucian @ c:irua:78202 |
Serial |
1228 |
Permanent link to this record |
|
|
|
Author |
Zhang, Y.-R.; Gao, F.; Li, X.-C.; Bogaerts, A.; Wang, Y.-N. |
Title |
Fluid simulation of the bias effect in inductive/capacitive discharges |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Journal of vacuum science and technology: A: vacuum surfaces and films |
Abbreviated Journal |
J Vac Sci Technol A |
Volume |
33 |
Issue |
33 |
Pages |
061303 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Computer simulations are performed for an argon inductively coupled plasma (ICP) with a capacitive radio-frequency bias power, to investigate the bias effect on the discharge mode transition and on the plasma characteristics at various ICP currents, bias voltages, and bias frequencies. When the bias frequency is fixed at 13.56 MHz and the ICP current is low, e.g., 6A, the spatiotemporal averaged plasma density increases monotonically with bias voltage, and the bias effect is already prominent at a bias voltage of 90 V. The maximum of the ionization rate moves toward the bottom electrode, which indicates clearly the discharge mode transition in inductive/capacitive discharges. At higher ICP currents, i.e., 11 and 13 A, the plasma density decreases first and then increases with bias voltage, due to the competing mechanisms between the ion acceleration power dissipation and the capacitive power deposition. At 11 A, the bias effect is still important, but it is noticeable only at higher bias voltages. At 13 A, the ionization rate is characterized by a maximum at the reactor center near the dielectric window at all selected bias voltages, which indicates that the ICP power, instead of the bias power, plays a dominant role under this condition, and no mode transition is observed. Indeed, the ratio of the bias power to the total power is lower than 0.4 over a wide range of bias voltages, i.e., 0300V. Besides the effect of ICP current, also the effect of various bias frequencies is investigated. It is found that the modulation of the bias power to the spatiotemporal distributions of the ionization rate at 2MHz is strikingly different from the behavior observed at higher bias frequencies. Furthermore, the minimum of the plasma density appears at different bias voltages, i.e., 120V at 2MHz and 90V at 27.12 MHz. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000365503800020 |
Publication Date |
2015-08-07 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0734-2101;1520-8559; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.374 |
Times cited |
9 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.374; 2015 IF: 2.322 |
Call Number |
c:irua:126824 |
Serial |
1229 |
Permanent link to this record |
|
|
|
Author |
Zhang, Y.-R.; Xu, X.; Bogaerts, A.; Wang, Y.-N. |
Title |
Fluid simulation of the phase-shift effect in hydrogen capacitively coupled plasmas: 1 : transient behaviour of electrodynamics and power deposition |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
Volume |
45 |
Issue |
1 |
Pages |
015202-015202,11 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A two-dimensional self-consistent fluid model coupled with the full set of Maxwell equations is established to investigate the phase-shift effect on the transient behaviour of electrodynamics and power deposition in a hydrogen capacitively coupled plasma. The effect has been examined at 13.56 MHz and 100 MHz, respectively, because of the different phase-shift modulation when the electromagnetic effects are dominant. The results indicate that the spatiotemporal distributions of the plasma characteristics obtained for various phase-shift cases are obviously different both in shape and especially in absolute values. Indeed, when the phase difference varies from 0 to π, there is an increase in the electron flux, thus the power deposition becomes more pronounced. At the frequency of 13.56 MHz, the axial electron flux in the bulk plasma becomes uniform along the z-axis, and the radial electron flux exhibits two peaks within one period at the reverse-phase case, whereas the oscillation is less pronounced at the in-phase case. Furthermore, in the very high frequency discharge, the radial electron flux is alternately positive and negative with four peaks during one period, and the ionization mainly occurs in the sheath region, due to the prominent power deposition there at a phase difference equal to π. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000298290000011 |
Publication Date |
2011-12-12 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.588 |
Times cited |
57 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.588; 2012 IF: 2.528 |
Call Number |
UA @ lucian @ c:irua:92851 |
Serial |
1230 |
Permanent link to this record |