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Author Freire, J.A.K.; Matulis, A.; Peeters, F.M.; Freire, V.N.; Farias, G.A. doi  openurl
  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 (down) 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. url  doi
openurl 
  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 (down) 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. pdf  doi
openurl 
  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 (down) 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. openurl 
  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 (down) Approved Most recent IF: 1.362; 1997 IF: 1.099  
  Call Number UA @ lucian @ c:irua:21431 Serial 1198  
Permanent link to this record
 

 
Author Pourtois, G.; Lauwers, A.; Kittl, J.; Pantisano, L.; Sorée, B.; De Gendt, S.; Magnus, W.; Heyns, A.; Maex, K. pdf  doi
openurl 
  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 (down) 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. doi  openurl
  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 (down) 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. openurl 
  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 (down) 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. doi  openurl
  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 (down) Approved Most recent IF: 3.411; 2004 IF: 4.308  
  Call Number UA @ lucian @ c:irua:49657 Serial 1203  
Permanent link to this record
 

 
Author Sivek, J. openurl 
  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 (down) 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. doi  openurl
  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 (down) 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. openurl 
  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 (down) 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. openurl 
  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 (down) 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. doi  openurl
  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 (down) Approved Most recent IF: 3.387; 2014 IF: 2.711  
  Call Number UA @ lucian @ c:irua:113766 Serial 1208  
Permanent link to this record
 

 
Author Dixit, H. openurl 
  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 (down) 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. doi  openurl
  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 (down) Approved Most recent IF: 3.411; 2010 IF: 3.841  
  Call Number UA @ lucian @ c:irua:105617 Serial 1213  
Permanent link to this record
 

 
Author Clima, S.; Chen, Y.Y.; Degraeve, R.; Mees, M.; Sankaran, K.; Govoreanu, B.; Jurczak, M.; De Gendt, S.; Pourtois, G. doi  openurl
  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 (down) Approved Most recent IF: 3.411; 2012 IF: 3.794  
  Call Number UA @ lucian @ c:irua:97786 Serial 1214  
Permanent link to this record
 

 
Author Amini, M. openurl 
  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 (down) 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. doi  openurl
  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 (down) 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. openurl 
  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 (down) 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. doi  openurl
  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 (down) Approved Most recent IF: 2.221; 2014 IF: 2.000  
  Call Number UA @ lucian @ c:irua:115761 Serial 1220  
Permanent link to this record
 

 
Author Zhang, Z.; Partoens, B.; Chang, K.; Peeters, F.M. url  doi
openurl 
  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 (down) Approved Most recent IF: 3.836; 2008 IF: 3.322  
  Call Number UA @ lucian @ c:irua:68846 Serial 1221  
Permanent link to this record
 

 
Author Cheng, K.; Leys, M.; Degroote, S.; van Daele, B.; Boeykens, S.; Derluyn, J.; Germain, M.; Van Tendeloo, G.; Engelen, J.; Borghs, G. doi  openurl
  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 (down) Approved Most recent IF: 1.579; 2006 IF: 1.504  
  Call Number UA @ lucian @ c:irua:58238 Serial 1223  
Permanent link to this record
 

 
Author de Backer, J.W.; Vos, W.G.; Gorlé, C.D.; Germonpré, P.; Partoens, B.; Wuyts, F.L.; Parizel, P.M.; de Backer, W. doi  openurl
  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 (down) Approved Most recent IF: 1.819; 2008 IF: 2.216  
  Call Number UA @ lucian @ c:irua:71693 Serial 1224  
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Author De Bie, C.; Verheyde, B.; Martens, T.; van Dijk, J.; Paulussen, S.; Bogaerts, A. pdf  doi
openurl 
  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 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 (down) Approved Most recent IF: 2.846; 2011 IF: 2.468  
  Call Number UA @ lucian @ c:irua:92443 Serial 1227  
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Author Petrović, D.; Martens, T.; van Dijk, J.; Brok, W.J.M.; Bogaerts, A. doi  openurl
  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 (down) Approved Most recent IF: 2.588; 2009 IF: 2.083  
  Call Number UA @ lucian @ c:irua:78202 Serial 1228  
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Author Zhang, Y.-R.; Gao, F.; Li, X.-C.; Bogaerts, A.; Wang, Y.-N. url  doi
openurl 
  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 (down) Approved Most recent IF: 1.374; 2015 IF: 2.322  
  Call Number c:irua:126824 Serial 1229  
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Author Zhang, Y.-R.; Xu, X.; Bogaerts, A.; Wang, Y.-N. pdf  doi
openurl 
  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 (down) Approved Most recent IF: 2.588; 2012 IF: 2.528  
  Call Number UA @ lucian @ c:irua:92851 Serial 1230  
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Author Zhang, Y.-R.; Xu, X.; Bogaerts, A.; Wang, Y.-N. pdf  doi
openurl 
  Title Fluid simulation of the phase-shift effect in hydrogen capacitively coupled plasmas: 2 : radial uniformity of the plasma characteristics 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 015203-015203,13  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A two-dimensional fluid model, including the full set of Maxwell equations, has been developed and applied to investigate the effect of a phase shift between two power sources on the radial uniformity of several plasma characteristics in a hydrogen capacitively coupled plasma. This study was carried out at various frequencies in the range 13.56200 MHz. When the frequency is low, at 13.56 MHz, the plasma density is characterized by an off-axis peak when both power sources are in-phase (phgr = 0), and the best radial uniformity is obtained at phgr = π. This trend can be explained because the radial nonuniformity caused by the electrostatic edge effect can be effectively suppressed by the phase-shift effect at a phase difference equal to π. When the frequency rises to 60 MHz, the plasma density profiles shift smoothly from edge-peaked over uniform to centre-peaked as the phase difference increases, due to the pronounced standing-wave effect, and the best radial uniformity is reached at phgr = 0.3π. At a frequency of 100 MHz, a similar behaviour is observed, except that the maximum of the plasma density moves again towards the radial edge at the reverse-phase case (phgr = π), because of the dominant skin effect. When the frequency is 200 MHz, the bulk plasma density increases significantly with increasing phase-shift values, and a better uniformity is obtained at phgr = 0.4π. This is because the density in the centre increases faster than at the radial edge as the phase difference rises, due to the increasing power deposition Pz in the centre and the decreasing power density Pr at the radial edge. As the phase difference increases to π, the maximum near the radial edge becomes obvious again. This is because the skin effect has a predominant influence on the plasma density under this condition, resulting in a high density at the radial edge. Moreover, the axial ion flux increases monotonically with phase difference, and exhibits similar profiles to the plasma density. The calculation results illustrate that the radial uniformity of the various plasma characteristics is strongly dependent on the applied frequency and the phase shift between both power sources, which is important to realize, for controlling the uniformity of the plasma etch and deposition processes.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000298290000012 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 15 Open Access  
  Notes (down) Approved Most recent IF: 2.588; 2012 IF: 2.528  
  Call Number UA @ lucian @ c:irua:92852 Serial 1231  
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Author Zhang, Y.-R.; Bogaerts, A.; Wang, Y.-N. pdf  doi
openurl 
  Title Fluid simulation of the phase-shift effect in Ar/CF4 capacitively coupled plasmas Type A1 Journal article
  Year 2012 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 45 Issue 48 Pages 485204  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A two-dimensional self-consistent fluid model combined with the full set of Maxwell equations is employed to investigate an Ar/CF4 capacitively coupled plasma, focusing on the phase-shift effect on the plasma characteristics at various frequencies and gas mixture ratios. When the discharge is sustained by a single frequency at 13.56 MHz in an Ar/CF4 mixture with a ratio of 0.9/0.1, no obvious difference is detected between the electron densities obtained in the so-called electrostatic model (with only the static electric fields taken into account) and the electromagnetic model (which includes the electromagnetic effects). However, as the frequency increases to 60 and 100 MHz, the difference becomes distinct, due to the significant influence of the electromagnetic effects. The phase-shift effect on the plasma radial uniformity has also been investigated in a dual frequency discharge, i.e. when the top driven source is switched on with a phase difference phiv ranging from 0 to π, in the frequency range 13.56100 MHz. At low concentration of CF4 (10%), Ar+ ions are the major positive ions in the entire range of frequencies. When the frequency is low, i.e. 13.56 MHz, the Ar+ density exhibits an off-axis peak at phiv = 0 due to the edge effect, and a better uniformity caused by the phase-shift modulation is obtained at phiv = π. At 60 MHz, the Ar+ density varies from edge-peaked at phiv = 0 to uniform (i.e. at phiv = 0.53π), and finally at phiv = π, a broad maximum is observed at the centre due to the standing-wave effect. As the frequency increases to 100 MHz, the best radial uniformity is reached at 0.25π, and the maximum moves again towards the radial wall in the reverse-phase case (phiv = π) due to the dominant skin effect. When the frequency is fixed at 100 MHz, the phase-shift control shows a different behaviour at a high concentration of CF4. For instance, the ${\rm CF}_3  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000311148300011 Publication Date 2012-11-06  
  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 8 Open Access  
  Notes (down) Approved Most recent IF: 2.588; 2012 IF: 2.528  
  Call Number UA @ lucian @ c:irua:101754 Serial 1232  
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Author Si, X.-J.; Zhao, S.-X.; Xu, X.; Bogaerts, A.; Wang, Y.-N. pdf  doi
openurl 
  Title Fluid simulations of frequency effects on nonlinear harmonics in inductively coupled plasma Type A1 Journal article
  Year 2011 Publication Physics of plasmas Abbreviated Journal Phys Plasmas  
  Volume 18 Issue 3 Pages 033504-033504,9  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A fluid model is self-consistently established to investigate the harmonic effects in an inductively coupled plasma, where the electromagnetic field is solved by the finite difference time domain technique. The spatiotemporal distribution of harmonic current density, harmonic potential, and other plasma quantities, such as radio frequency power deposition, plasma density, and electron temperature, have been investigated. Distinct differences in current density have been observed when calculated with and without Lorentz force, which indicates that the nonlinear Lorentz force plays an important role in the harmonic effects, especially at low frequencies. Moreover, the even harmonics are larger than the odd harmonics both in the current density and the potential. Finally, the dependence of various plasma quantities with and without the Lorentz force on various driving frequencies is also examined. It is shown that the deposited power density decreases and the depth of penetration increases slightly because of the Lorentz force. The electron density increases distinctly while the electron temperature remains almost the same when the Lorentz force is taken into account.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Woodbury, N.Y. Editor  
  Language Wos 000289151900073 Publication Date 2011-03-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1070-664X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.115 Times cited 7 Open Access  
  Notes (down) Approved Most recent IF: 2.115; 2011 IF: 2.147  
  Call Number UA @ lucian @ c:irua:87876 Serial 1233  
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