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Author Shestakov, M.V.; Meledina, M.; Turner, S.; Tikhomirov, V.K.; Verellen, N.; Rodríguez, V.D.; Velázquez, J.J.; Van Tendeloo, G.; Moshchalkov, V.V. pdf  doi
openurl 
  Title The size and structure of Ag particles responsible for surface plasmon effects and luminescence in Ag homogeneously doped bulk glass Type A1 Journal article
  Year 2013 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 114 Issue 7 Pages 073102-73105  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract As-prepared and heat-treated oxyfluoride glasses, co-doped with Ag nanoclusters/nanoparticles, are prepared at 0.15 at. % Ag concentration. The as-prepared glass shows an absorption band in the UV/violet attributed to the presence of amorphous Ag nanoclusters with an average size of 1.1 nm. The luminescence spectra of the untreated glass can also be ascribed to these Ag nanoclusters. Upon heat-treatment, the clusters coalesce into Ag nanoparticles with an average size of 2.3 nm, and the glasses show an extra surface plasmon absorption band in the visible. These particles, however, cease to emit due to ascribing plasmonic properties of bulk silver.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000323510900003 Publication Date 2013-08-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 19 Open Access  
  Notes Fwo Approved Most recent IF: 2.068; 2013 IF: 2.185  
  Call Number UA @ lucian @ c:irua:109455 Serial 3031  
Permanent link to this record
 

 
Author Wendelen, W.; Mueller, B.Y.; Autrique, D.; Rethfeld, B.; Bogaerts, A. pdf  doi
openurl 
  Title Space charge corrected electron emission from an aluminum surface under non-equilibrium conditions Type A1 Journal article
  Year 2012 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 111 Issue 11 Pages 113110  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A theoretical study has been conducted of ultrashort pulsed laser induced electron emission from an aluminum surface. Electron emission fluxes retrieved from the commonly employed Fowler-DuBridge theory were compared to fluxes based on a laser-induced non-equilibrium electron distribution. As a result, the two-and three-photon photoelectron emission parameters for the Fowler-DuBridge theory have been approximated. We observe that at regimes where photoemission is important, laser-induced electron emission evolves in a more smooth manner than predicted by the Fowler-DuBridge theory. The importance of the actual electron distribution decreases at higher laser fluences, whereas the contribution of thermionic emission increases. Furthermore, the influence of a space charge effect on electron emission was evaluated by a one dimensional particle-in-cell model. Depending on the fluences, the space charge reduces the electron emission by several orders of magnitude. The influence of the electron emission flux profiles on the effective electron emission was found to be negligible. However, a non-equilibrium electron velocity distribution increases the effective electron emission significantly. Our results show that it is essential to consider the non-equilibrium electron distribution as well as the space charge effect for the description of laser-induced photoemission. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4729071]  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000305401400043 Publication Date 2012-06-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 30 Open Access  
  Notes Approved Most recent IF: 2.068; 2012 IF: 2.210  
  Call Number UA @ lucian @ c:irua:100300 Serial 3057  
Permanent link to this record
 

 
Author Yan, M.; Bogaerts, A.; Gijbels, R.; Goedheer, W.J. doi  openurl
  Title Spatial behavior of energy relaxation of electrons in capacitively coupled discharges: comparison between Ar and SiH4 Type A1 Journal article
  Year 2000 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 87 Issue 8 Pages 3628-3636  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000086169500003 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 14 Open Access  
  Notes Approved Most recent IF: 2.068; 2000 IF: 2.180  
  Call Number UA @ lucian @ c:irua:34074 Serial 3061  
Permanent link to this record
 

 
Author Papp, G.; Borza, S.; Peeters, F.M. doi  openurl
  Title Spin transport in a Mn-doped ZnSe asymmetric tunnel structure Type A1 Journal article
  Year 2005 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 97 Issue 11 Pages 113901-113905  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Spin-dependent tunneling of electrons in a diluted magnetic semiconductor ZnSe/Zn1-xMnxSe/Zn1-yMnySe/ZnSe/Zn1-xMnxSe/ZnSe heterostructure is investigated theoretically in the presence of parallel magnetic and electric fields, but our modeling is appropriate for any dilute magnetic II-VI semiconductor system. In the studied asymmetric system the transmission of electrons and the degree of spin polarization depend on the strength of the magnetic and electric fields and on the direction of the applied bias. For suitable magnetic fields, the output current of the system exhibits a nearly 100% spin polarization and the device can be used as a spin filter. (C) 2005 American Institute of Physics.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000229804700072 Publication Date 2005-05-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 26 Open Access  
  Notes Approved Most recent IF: 2.068; 2005 IF: 2.498  
  Call Number UA @ lucian @ c:irua:102728 Serial 3102  
Permanent link to this record
 

 
Author Tadić, M.; Peeters, F.M.; Janssens, K.L.; Korkusinski, M.; Hawrylak, P. url  doi
openurl 
  Title Strain and band edges in single and coupled cylindrical InAs/GaAs and InP/InGaP self-assembled quantum dots Type A1 Journal article
  Year 2002 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 92 Issue 10 Pages 5819-5829  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract A comparative study is made of the strain distribution in cylindrical InAs/GaAs and InP/InGaP self-assembled quantum dots as obtained from isotropic elasticity theory, the anisotropic continuum mechanical model, and from atomistic calculations. For the isotropic case, the recently proposed approach [J. H. Davies, J. Appl. Phys. 84, 1358 (1998)] is used, while the finite-element method, the valence force field method, and Stillinger-Weber potentials are employed to calculate the strain in anisotropic structures. We found that all four methods result in strain distributions of similar shapes, but with notable quantitative differences inside the dot and near the disk-matrix boundary. The variations of the diagonal strains with the height of the quantum dot, with fixed radius, as calculated from all models, are almost linear. Furthermore, the energies of the band edges in the two types of quantum dots are extracted from the multiband effective-mass theory by inserting the strain distributions as obtained by the four models. We demonstrated that all strain models produce effective potentials for the heavy and light holes which agree very well inside the dot. A negligible anisotropy of all normal strains in the (x,y) plane is found, which, providing the axial symmetry of the kinetic part of the multiband effective-mass Hamiltonian, justifies the use of the axial approximation. Strain propagation along the vertical direction is also considered with the aim to study the influence of strain on the electron coupling in stacks of quantum dots. We found that the interaction between the strain fields of the individual quantum dots makes the effective quantum wells for the electrons in the conduction band shallower, thereby counteracting the quantum mechanical coupling. (C) 2002 American Institute of Physics.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000178987200036 Publication Date 2002-11-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 73 Open Access  
  Notes Approved Most recent IF: 2.068; 2002 IF: 2.281  
  Call Number UA @ lucian @ c:irua:103327 Serial 3164  
Permanent link to this record
 

 
Author Bernaerts, D.; Van Tendeloo, G.; Amelinckx, S.; Hevesi, K.; Gensterblum, G.; Yu, L.M.; Pireaux, J.J.; Grey, F.; Bohr, J. pdf  doi
openurl 
  Title Structural defects and epitaxial rotation of C60 and C70 (111) films on GeS(001) Type A1 Journal article
  Year 1996 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 80 Issue 6 Pages 3310-3318  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A transmission electron microscopy study of epitaxial C-60 and C-70 films grown on a GeS (001) surface is presented. The relationship between the orientation of the substrate and the films and structural defects in the films, such as grain boundaries, unknown in bulk C-60 and C-70 crystals, are studied. Small misalignments of the overlayers with respect to the orientation of the substrate, so-called epitaxial rotations, exist mainly in C-70 films, but also sporadically in the C-60 overlayers. A simple symmetry model, previously used to predict the rotation of hexagonal overlayers on hexagonal substrates, is numerically tested and applied to the present situation. Some qualitative conclusions concerning the substrate-film interaction are deduced. (C) 1996 American Institute of Physics.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos A1996VG68100027 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.183 Times cited 6 Open Access  
  Notes Approved  
  Call Number UA @ lucian @ c:irua:95233 Serial 3229  
Permanent link to this record
 

 
Author Lebedev, O.I.; Verbeeck, J.; Van Tendeloo, G.; Dubourdieu, C.; Rosina, M.; Chaudouët, P. pdf  doi
openurl 
  Title Structure and properties of artificial [(La0.7Sr0.3MnO3)m(SrTiO3)n]15 superlattices on (001)SrTiO3 Type A1 Journal article
  Year 2003 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 94 Issue 12 Pages 7646-7656  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Complex [(La0.7Sr0.3MnO3)(m)(SrTiO3)(n)] [(LSMO)(m)/(STO)(8)](15) superlattices with different layer thicknesses (m=5, 8, 12, 16, 32) have been prepared using pulsed liquid injection metalorganic chemical vapor deposition. Transmission electron microscopy and electron diffraction reveal a very clear and well-separated layer sequence. The remarkable microstructure, as well as the ferromagnetic transition temperature, depends on the LSMO layer thickness. Apart from a very clear layer sequence, electron microscopy shows evidence of a self-assembled nanostructure formation: SrMnO3 nanoinclusions and associated SrTiO3-SrMnO3 thin walls. A formation model and growth mechanism for the self-assembled structure is proposed, based on high resolution and energy filtered elemental imaging. (C) 2003 American Institute of Physics.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000186969900042 Publication Date 2003-12-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 22 Open Access  
  Notes Approved Most recent IF: 2.068; 2003 IF: 2.171  
  Call Number UA @ lucian @ c:irua:54822 Serial 3292  
Permanent link to this record
 

 
Author Lebedev, O.I.; Hamet, J.F.; Van Tendeloo, G.; Beaumont, V.; Raveau, B. pdf  doi
openurl 
  Title Structure and properties of the YBa2Cu3O7-x/LaAlO3 superlattices Type A1 Journal article
  Year 2001 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 90 Issue 10 Pages 5261-5267  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000171918700061 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 13 Open Access  
  Notes Approved Most recent IF: 2.068; 2001 IF: 2.128  
  Call Number UA @ lucian @ c:irua:54821 Serial 3294  
Permanent link to this record
 

 
Author Rossell, M.D.; Lebedev, O.I.; Van Tendeloo, G.; Hayashi, N.; Terashima, T.; Takano, M. pdf  doi
openurl 
  Title Structure of epitaxial Ca2Fe2O5 films deposited on different perovskite-type substrates Type A1 Journal article
  Year 2004 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 95 Issue 9 Pages 5145-5152  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000220875400096 Publication Date 2004-04-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 16 Open Access  
  Notes Approved Most recent IF: 2.068; 2004 IF: 2.255  
  Call Number UA @ lucian @ c:irua:54828 Serial 3310  
Permanent link to this record
 

 
Author Baguer, N.; Bogaerts, A.; Gijbels, R. doi  openurl
  Title Study of a hollow cathode glow discharge in He: Monte Carlo-fluid model combined with a transport model for the metastable atoms Type A1 Journal article
  Year 2003 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 93 Issue Pages 47-55  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000180002500009 Publication Date 2002-12-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 24 Open Access  
  Notes Approved Most recent IF: 2.068; 2003 IF: 2.171  
  Call Number UA @ lucian @ c:irua:44010 Serial 3324  
Permanent link to this record
 

 
Author Baguer, N.; Bogaerts, A.; Donko, Z.; Gijbels, R.; Sadeghi, N. doi  openurl
  Title Study of the Ar metastable atom population in a hollow cathode discharge by means of a hybrid model and spectrometric measurements Type A1 Journal article
  Year 2005 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 97 Issue Pages 123305,1-12  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000230278100014 Publication Date 2005-06-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 40 Open Access  
  Notes Approved Most recent IF: 2.068; 2005 IF: 2.498  
  Call Number UA @ lucian @ c:irua:53102 Serial 3334  
Permanent link to this record
 

 
Author Baguer, N.; Bogaerts, A. doi  openurl
  Title Study of the sputtered Cu atoms and Cu+ ions in a hollow cathode glow discharge using a hybrid model Type A1 Journal article
  Year 2005 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 98 Issue 3 Pages 033303,1-033303,11  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The role of the Cu atoms sputtered from the cathode material in a cylindrical hollow cathode discharge (HCD) and the corresponding Cu+ ions are studied with a self-consistent model based on the principle of Monte Carlo (MC) and fluid simulations. In order to obtain a more realistic view of the discharge processes, this model is coupled with other submodels, which describe the behavior of electrons, fast Ar atoms, Ar+ ions, and Ar metastable atoms, also based on the principles of MC and fluid simulations. Typical results are, among others, the thermalization profile of the Cu atoms, the fast Cu atom, the thermal Cu atom and Cu+ ion fluxes and densities, and the energy distribution of the Cu+ ions. It was found that the contribution of the Ar+ ions to the sputtering was the most significant, followed by the fast Ar atoms. At the cathode bottom, there was no net sputtered flux but a net amount of redeposition. Throughout the discharge volume, at all the conditions investigated, the largest concentration of Cu atoms was found in the lower half of the HCD, close to the bottom. Penning ionization was found the main ionization mechanism for the Cu atoms. The ionization degree of copper atoms was found to be in the same order as for the argon atoms (10-4). (c) 2005 American Institute of Physics.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000231246100007 Publication Date 2005-08-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 18 Open Access  
  Notes Approved Most recent IF: 2.068; 2005 IF: 2.498  
  Call Number UA @ lucian @ c:irua:54597 Serial 3340  
Permanent link to this record
 

 
Author de Sousa, J.S.; Covaci, L.; Peeters, F.M.; Farias, G.A. doi  openurl
  Title Time-dependent investigation of charge injection in a quantum dot containing one electron Type A1 Journal article
  Year 2012 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 112 Issue 9 Pages 093705-93709  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The interaction of an injected electron towards a quantum dot (QD) containing a single confined electron is investigated using a flexible time-dependent quantum mechanics formalism, which allows both electrons to move and undergo quantum transitions. Different scenarios combining quantum dot dimensions, dielectric constant, injected wave packet energy, and width were explored, and our main results are: (i) due to the large characteristic transitions times between the confined state in the quantum dot and the delocalized state in the continuum, it is relatively difficult to ionize the occupied QD by Coulomb interaction solely and (ii) the charging state of the quantum dot can be sensed by direct injection of charges. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4759292]  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000311968400052 Publication Date 2012-11-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 1 Open Access  
  Notes ; This work was financially supported by the Brazilian National Research Council (CNPq), under Contract No. NanoBioEstruturas 555183/2005-0, Fundao Cearense de Apoio ao Desenvolvimento Cientfico e Tecnolgico (Funcap), CAPES, Pronex/CNPq/ Funcap, the Bilateral program between Flanders and Brazil, and the Flemish Science Foundation (FWO). ; Approved Most recent IF: 2.068; 2012 IF: 2.210  
  Call Number UA @ lucian @ c:irua:106014 Serial 3664  
Permanent link to this record
 

 
Author Papp, G.; Peeters, F.M. doi  openurl
  Title Tunable giant magnetoresistance with magnetic barriers Type A1 Journal article
  Year 2006 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 100 Issue 4 Pages 043707,1-4  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000240236800056 Publication Date 2006-09-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 49 Open Access  
  Notes Approved Most recent IF: 2.068; 2006 IF: 2.316  
  Call Number UA @ lucian @ c:irua:60812 Serial 3742  
Permanent link to this record
 

 
Author Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M. doi  openurl
  Title Unraveling the deposition mechanism in a-C:H thin-film growth: a molecular-dynamics study for the reaction behavior of C3 and C3H radicals with a-C:H surfaces Type A1 Journal article
  Year 2006 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 99 Issue 1 Pages 014902,1-8  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000234607200071 Publication Date 2006-01-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 25 Open Access  
  Notes Approved Most recent IF: 2.068; 2006 IF: 2.316  
  Call Number UA @ lucian @ c:irua:55831 Serial 3815  
Permanent link to this record
 

 
Author Vandenberghe, W.; Sorée, B.; Magnus, W.; Groeseneken, G. doi  openurl
  Title Zener tunneling in semiconductors under nonuniform electric fields Type A1 Journal article
  Year 2010 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 107 Issue 5 Pages 054520,1-054520,7  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Recently, a renewed interest in Zener tunneling has arisen because of its increasing impact on semiconductor device performance at nanometer dimensions. In this paper we evaluate the tunnel probability under the action of a nonuniform electric field using a two-band model and arrive at significant deviations from the commonly used Kanes model, valid for weak uniform fields only. A threshold on the junction bias where Kanes model for Zener tunneling breaks down is determined. Comparison with Kanes model particularly shows that our calculation yields a higher tunnel probability for intermediate electric fields and a lower tunnel probability for high electric fields. When performing a current calculation comparing to the WKB approximation for the case of an abrupt p-n junction significant differences concerning the shape of the I-V curve are demonstrated.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000275657500136 Publication Date 2010-03-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 22 Open Access  
  Notes ; William Vandenberghe gratefully acknowledges the support of a Ph. D. stipend from the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen). These authors acknowledge the support from IMEC's Industrial Affiliation Program and the authors would like to thank Anne Verhulst for useful comments. ; Approved Most recent IF: 2.068; 2010 IF: 2.079  
  Call Number UA @ lucian @ c:irua:82450 Serial 3929  
Permanent link to this record
 

 
Author Milants, K.; Verheyden, J.; Barancira, T.; Deweerd, W.; Pattyn, H.; Bukshpan, S.; Williamson, D.L.; Vermeiren, F.; Van Tendeloo, G.; Vlekken, C.; Libbrecht, S.; van Haesendonck, C. openurl 
  Title Size distribution and magnetic behavior of lead inclusions in silicon single crystals Type A1 Journal article
  Year 1997 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 81 Issue 5 Pages 2148-2152  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos A1997WK08800017 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 8 Open Access  
  Notes Approved Most recent IF: 2.068; 1997 IF: 1.630  
  Call Number UA @ lucian @ c:irua:21433 Serial 3035  
Permanent link to this record
 

 
Author Chu, D.P.; Peeters, F.M.; Kolodinski, S.; Roca, E. openurl 
  Title Theoretical investigation of CoSi2/Si1-xGex detectors: influence of a Si tunneling barrier on the electro-optical characteristics Type A1 Journal article
  Year 1996 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 79 Issue Pages 1151-1156  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos A1996TQ77500084 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.183 Times cited 3 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:15801 Serial 3606  
Permanent link to this record
 

 
Author Clima, S.; Chen, Y.Y.; Chen, C.Y.; Goux, L.; Govoreanu, B.; Degraeve, R.; Fantini, A.; Jurczak, M.; Pourtois, G. url  doi
openurl 
  Title First-principles thermodynamics and defect kinetics guidelines for engineering a tailored RRAM device Type A1 Journal article
  Year 2016 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 119 Issue 119 Pages 225107  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Resistive Random Access Memories are among the most promising candidates for the next generation of non-volatile memory. Transition metal oxides such as HfOx and TaOx attracted a lot of attention due to their CMOS compatibility. Furthermore, these materials do not require the inclusion of extrinsic conducting defects since their operation is based on intrinsic ones (oxygen vacancies). Using Density Functional Theory, we evaluated the thermodynamics of the defects formation and the kinetics of diffusion of the conducting species active in transition metal oxide RRAM materials. The gained insights based on the thermodynamics in the Top Electrode, Insulating Matrix and Bottom Electrode and at the interfaces are used to design a proper defect reservoir, which is needed for a low-energy reliable switching device. The defect reservoir has also a direct impact on the retention of the Low Resistance State due to the resulting thermodynamic driving forces. The kinetics of the diffusing conducting defects in the Insulating Matrix determine the switching dynamics and resistance retention. The interface at the Bottom Electrode has a significant impact on the low-current operation and long endurance of the memory cell. Our first-principles findings are confirmed by experimental measurements on fabricated RRAM devices. Published by AIP Publishing.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000378925400035 Publication Date 2016-06-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 17 Open Access  
  Notes Approved Most recent IF: 2.068  
  Call Number UA @ lucian @ c:irua:134651 Serial 4181  
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Author Verreck, D.; Verhulst, A.S.; Van de Put, M.; Sorée, B.; Magnus, W.; Mocuta, A.; Collaert, N.; Thean, A.; Groeseneken, G. doi  openurl
  Title Full-zone spectral envelope function formalism for the optimization of line and point tunnel field-effect transistors Type A1 Journal article
  Year 2015 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 118 Issue 118 Pages 134502  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Efficient quantum mechanical simulation of tunnel field-effect transistors (TFETs) is indispensable to allow for an optimal configuration identification. We therefore present a full-zone 15-band quantum mechanical solver based on the envelope function formalism and employing a spectral method to reduce computational complexity and handle spurious solutions. We demonstrate the versatility of the solver by simulating a 40 nm wide In0.53Ga0.47As lineTFET and comparing it to p-n-i-n configurations with various pocket and body thicknesses. We find that the lineTFET performance is not degraded compared to semi-classical simulations. Furthermore, we show that a suitably optimized p-n-i-n TFET can obtain similar performance to the lineTFET. (C) 2015 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000362668400025 Publication Date 2015-10-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 9 Open Access  
  Notes ; D. Verreck acknowledges the support of a Ph.D. stipend from the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen). This work was supported by imec's Industrial Affiliation Program. ; Approved Most recent IF: 2.068; 2015 IF: 2.183  
  Call Number UA @ lucian @ c:irua:128765 Serial 4183  
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Author Van de Put, M.L.; Vandenberghe, W.G.; Sorée, B.; Magnus, W.; Fischetti, M.V. url  doi
openurl 
  Title Inter-ribbon tunneling in graphene: An atomistic Bardeen approach Type A1 Journal article
  Year 2016 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 119 Issue 119 Pages 214306  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract A weakly coupled system of two crossed graphene nanoribbons exhibits direct tunneling due to the overlap of the wavefunctions of both ribbons. We apply the Bardeen transfer Hamiltonian formalism, using atomistic band structure calculations to account for the effect of the atomic structure on the tunneling process. The strong quantum-size confinement of the nanoribbons is mirrored by the one-dimensional character of the electronic structure, resulting in properties that differ significantly from the case of inter-layer tunneling, where tunneling occurs between bulk two-dimensional graphene sheets. The current-voltage characteristics of the inter-ribbon tunneling structures exhibit resonance, as well as stepwise increases in current. Both features are caused by the energetic alignment of one-dimensional peaks in the density-of-states of the ribbons. Resonant tunneling occurs if the sign of the curvature of the coupled energy bands is equal, whereas a step-like increase in the current occurs if the signs are opposite. Changing the doping modulates the onset-voltage of the effects as well as their magnitude. Doping through electrostatic gating makes these structures promising for application towards steep slope switching devices. Using the atomistic empirical pseudopotentials based Bardeen transfer Hamiltonian method, inter-ribbon tunneling can be studied for the whole range of two-dimensional materials, such as transition metal dichalcogenides. The effects of resonance and of step-like increases in the current we observe in graphene ribbons are also expected in ribbons made from these alternative two-dimensional materials, because these effects are manifestations of the one-dimensional character of the density-of-states. Published by AIP Publishing.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000378923100022 Publication Date 2016-06-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 6 Open Access  
  Notes ; ; Approved Most recent IF: 2.068  
  Call Number UA @ lucian @ c:irua:134652 Serial 4198  
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Author Moors, K.; Sorée, B.; Magnus, W. url  doi
openurl 
  Title Modeling surface roughness scattering in metallic nanowires Type A1 Journal article
  Year 2015 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 118 Issue 118 Pages 124307  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Ando's model provides a rigorous quantum-mechanical framework for electron-surface roughness scattering, based on the detailed roughness structure. We apply this method to metallic nanowires and improve the model introducing surface roughness distribution functions on a finite domain with analytical expressions for the average surface roughness matrix elements. This approach is valid for any roughness size and extends beyond the commonly used Prange-Nee approximation. The resistivity scaling is obtained from the self-consistent relaxation time solution of the Boltzmann transport equation and is compared to Prange-Nee's approach and other known methods. The results show that a substantial drop in resistivity can be obtained for certain diameters by achieving a large momentum gap between Fermi level states with positive and negative momentum in the transport direction. (C) 2015 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000362565800032 Publication Date 2015-09-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 11 Open Access  
  Notes ; ; Approved Most recent IF: 2.068; 2015 IF: 2.183  
  Call Number UA @ lucian @ c:irua:129425 Serial 4207  
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Author Yagmurcukardes, M.; Sahin, H.; Kang, J.; Torun, E.; Peeters, F.M.; Senger, R.T. doi  openurl
  Title Pentagonal monolayer crystals of carbon, boron nitride, and silver azide Type A1 Journal article
  Year 2015 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 118 Issue 118 Pages 104303  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract In this study, we present a theoretical investigation of structural, electronic, and mechanical properties of pentagonal monolayers of carbon (p-graphene), boron nitride (p-B2N4 and p-B4N2), and silver azide (p-AgN3) by performing state-of-the-art first principles calculations. Our total energy calculations suggest feasible formation of monolayer crystal structures composed entirely of pentagons. In addition, electronic band dispersion calculations indicate that while p-graphene and p-AgN3 are semiconductors with indirect bandgaps, p-BN structures display metallic behavior. We also investigate the mechanical properties (in-plane stiffness and the Poisson's ratio) of four different pentagonal structures under uniaxial strain. p-graphene is found to have the highest stiffness value and the corresponding Poisson's ratio is found to be negative. Similarly, p-B2N4 and p-B4N2 have negative Poisson's ratio values. On the other hand, the p-AgN3 has a large and positive Poisson's ratio. In dynamical stability tests based on calculated phonon spectra of these pentagonal monolayers, we find that only p-graphene and p-B2N4 are stable, but p-AgN3 and p-B4N2 are vulnerable against vibrational excitations.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000361636900028 Publication Date 2015-09-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 79 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. was supported by a FWO Pegasus Long Marie Curie Fellowship. H.S. and R.T.S. acknowledge the support from TUBITAK through Project No. 114F397. ; Approved Most recent IF: 2.068; 2015 IF: 2.183  
  Call Number UA @ lucian @ c:irua:128415 Serial 4223  
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Author de Sousa, A.A.; Chaves, A.; Pereira, T.A.S.; Farias, G.A.; Peeters, F.M. doi  openurl
  Title Quantum tunneling between bent semiconductor nanowires Type A1 Journal article
  Year 2015 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 118 Issue 118 Pages 174301  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We theoretically investigate the electronic transport properties of two closely spaced L-shaped semiconductor quantum wires, for different configurations of the output channel widths as well as the distance between the wires. Within the effective-mass approximation, we solve the time-dependent Schrodinger equation using the split-operator technique that allows us to calculate the transmission probability, the total probability current, the conductance, and the wave function scattering between the energy subbands. We determine the maximum distance between the quantum wires below which a relevant non-zero transmission is still found. The transmission probability and the conductance show a strong dependence on the width of the output channel for small distances between the wires. (C) 2015 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000364584200020 Publication Date 2015-11-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 7 Open Access  
  Notes ; A. A. Sousa was financially supported by CAPES, under the PDSE Contract No. BEX 7177/13-5. T. A. S. Pereira was financially supported by PRONEX/CNPq/FAPEMAT 850109/2009 and by CAPES under process BEX 3299/13-9. This work was financially supported by PRONEX/CNPq/FUNCAP, the Science Without Borders program and the bilateral project CNPq-FWO. ; Approved Most recent IF: 2.068; 2015 IF: 2.183  
  Call Number UA @ lucian @ c:irua:129544 Serial 4234  
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Author Andrikopoulos, D.; Sorée, B.; De Boeck, J. url  doi
openurl 
  Title Skyrmion-induced bound states on the surface of three-dimensional topological insulators Type A1 Journal article
  Year 2016 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 119 Issue 119 Pages 193903  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The interaction between the surface of a 3D topological insulator and a skyrmion/anti-skyrmion structure is studied in order to investigate the possibility of electron confinement due to the skyrmion presence. Both hedgehog (Neel) and vortex (Bloch) skyrmions are considered. For the hedgehog skyrmion, the in-plane components cannot be disregarded and their interaction with the surface state of the topological insulator (TI) has to be taken into account. A semi-classical description of the skyrmion chiral angle is obtained using the variational principle. It is shown that both the hedgehog and the vortex skyrmion can induce bound states on the surface of the TI. However, the number and the properties of these states depend strongly on the skyrmion type and the skyrmion topological number N-Sk. The probability densities of the bound electrons are also derived where it is shown that they are localized within the skyrmion region. Published by AIP Publishing.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000377718100013 Publication Date 2016-05-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 8 Open Access  
  Notes ; ; Approved Most recent IF: 2.068  
  Call Number UA @ lucian @ c:irua:134607 Serial 4244  
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Author Frota, D.A.; Chaves, A.; Ferreira, W.P.; Farias, G.A.; Milošević, M.V. doi  openurl
  Title Superconductor-ferromagnet bilayer under external drive : the role of vortex-antivortex matter Type A1 Journal article
  Year 2016 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 119 Issue 119 Pages 093912  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using advanced Ginzburg-Landau simulations, we study the superconducting state of a thin superconducting film under a ferromagnetic layer, separated by an insulating oxide, in applied external magnetic field and electric current. The taken uniaxial ferromagnet is organized into a series of parallel domains with alternating polarization of out-of-plane magnetization, sufficiently strong to induce vortex-antivortex pairs in the underlying superconductor in absence of other magnetic field. We show the organization of such vortex-antivortex matter into rich configurations, some of which are not matching the periodicity of the ferromagnetic film. The variety of possible configurations is enhanced by applied homogeneous magnetic field, where additional vortices in the superconductor may lower the energy of the system by either annihilating the present antivortices under negative ferromagnetic domains or by lowering their own energy after positioning under positive ferromagnetic domains. As a consequence, both the vortex-antivortex reordering in increasing external field and the evolution of the energy of the system are highly nontrivial. Finally, we reveal the very interesting effects of applied dc electric current on the vortex-antivortex configurations, since resulting Lorentzian force has opposite direction for vortices and antivortices, while direction of the applied current with respect to ferromagnetic domains is of crucial importance for the interaction of the applied and the Meissner current, as well as the consequent vortex-antivortex dynamics-both of which are reflected in the anisotropic critical current of the system. (C) 2016 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000372351900018 Publication Date 2016-03-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 4 Open Access  
  Notes ; This work was supported by the Brazilian agencies CNPq, PRONEX/FUNCAP, and CAPES, and the Research Foundation-Flanders (FWO). ; Approved Most recent IF: 2.068  
  Call Number UA @ lucian @ c:irua:133200 Serial 4255  
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Author Fatima; Oguz, I.C.; Çakir, D.; Hossain, S.; Mohottige, R.; Gulseren, O.; Oncel, N. url  doi
openurl 
  Title On the structural and electronic properties of Ir-silicide nanowires on Si(001) surface Type A1 Journal article
  Year 2016 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 120 Issue 120 Pages 095303  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Iridium (Ir) modified Silicon (Si) (001) surface is studied with Scanning Tunneling Microscopy/Spectroscopy (STM/STS) and Density Functional Theory (DFT). A model for Ir-silicide nanowires based on STM images and ab-initio calculations is proposed. According to our model, the Ir adatom is on the top of the substrate dimer row and directly binds to the dimer atoms. I-V curves measured at 77K shows that the nanowires are metallic. DFT calculations confirm strong metallic nature of the nanowires. Published by AIP Publishing.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000383978100030 Publication Date 2016-09-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 7 Open Access  
  Notes ; We gratefully acknowledge the NSF (Grant No. DMR-1306101) for financial support. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. ; Approved Most recent IF: 2.068  
  Call Number UA @ lucian @ c:irua:137132 Serial 4359  
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Author Mohammed, M.; Verhulst, A.S.; Verreck, D.; Van de Put, M.; Simoen, E.; Sorée, B.; Kaczer, B.; Degraeve, R.; Mocuta, A.; Collaert, N.; Thean, A.; Groeseneken, G. url  doi
openurl 
  Title Electric-field induced quantum broadening of the characteristic energy level of traps in semiconductors and oxides Type A1 Journal article
  Year 2016 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 120 Issue 120 Pages 245704  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The trap-assisted tunneling (TAT) current in tunnel field-effect transistors (TFETs) is one of the crucial factors degrading the sub-60 mV/dec sub-threshold swing. To correctly predict the TAT currents, an accurate description of the trap is required. Since electric fields in TFETs typically reach beyond 10(6) V/cm, there is a need to quantify the impact of such high field on the traps. We use a quantum mechanical implementation based on the modified transfer matrix method to obtain the trap energy level. We present the qualitative impact of electric field on different trap configurations, locations, and host materials, including both semiconductors and oxides. We determine that there is an electric-field related trap level shift and level broadening. We find that these electric-field induced quantum effects can enhance the trap emission rates. Published by AIP Publishing.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000392174000028 Publication Date 2016-12-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 6 Open Access  
  Notes ; This work was supported by imec's Industrial Affiliation Program. D. Verreck acknowledges the support of a PhD stipend from IWT-Vlaanderen. ; Approved Most recent IF: 2.068  
  Call Number UA @ lucian @ c:irua:141481 Serial 4593  
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Author Torun, E.; Sahin, H.; Cahangirov, S.; Rubio, A.; Peeters, F.M. url  doi
openurl 
  Title Anisotropic electronic, mechanical, and optical properties of monolayer WTe2 Type A1 Journal article
  Year 2016 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 119 Issue 7 Pages 074307  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using first-principles calculations, we investigate the electronic, mechanical, and optical properties of monolayer WTe2. Atomic structure and ground state properties of monolayer WTe2 (T-d phase) are anisotropic which are in contrast to similar monolayer crystals of transition metal dichalcogenides, such as MoS2, WS2, MoSe2, WSe2, and MoTe2, which crystallize in the H-phase. We find that the Poisson ratio and the in-plane stiffness is direction dependent due to the symmetry breaking induced by the dimerization of the W atoms along one of the lattice directions of the compound. Since the semimetallic behavior of the T-d phase originates from this W-W interaction (along the a crystallographic direction), tensile strain along the dimer direction leads to a semimetal to semiconductor transition after 1% strain. By solving the Bethe-Salpeter equation on top of single shot G(0)W(0) calculations, we predict that the absorption spectrum of T-d-WTe2 monolayer is strongly direction dependent and tunable by tensile strain. (C) 2016 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000375158000022 Publication Date 2016-02-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 62 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-V1) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. was supported by a FWO Pegasus Long Marie Curie Fellowship. S.C. and A.R. acknowledge the financial support from the Marie Curie grant FP7-PEOPLE-2013-IEF Project No. 628876, European Research Council (ERC-2010-AdG-267374), Spanish grant (FIS2013-46159-C3-1-P), Grupos Consolidados (IT578-13), and AFOSR Grant No. FA2386-15-1-0006 AOARD 144088, H2020-NMP-2014 project MOSTOPHOS, GA No. SEP-210187476, and COST Action MP1306 (EUSpec). S.C. acknowledges the support from The Scientific and Technological Research Council of Turkey (TUBITAK) under Project No. 115F388. ; Approved Most recent IF: 2.068  
  Call Number UA @ lucian @ c:irua:144747 Serial 4640  
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Author Berdiyorov, G.R.; Mortazavi, B.; Ahzi, S.; Peeters, F.M.; Khraisheh, M.K. url  doi
openurl 
  Title Effect of straining graphene on nanopore creation using Si cluster bombardment: A reactive atomistic investigation Type A1 Journal article
  Year 2016 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 120 Issue 120 Pages 225108  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Graphene nanosheets have recently received a revival of interest as a new class of ultrathin, high-flux, and energy-efficient sieving membranes because of their unique two-dimensional and atomically thin structure, good flexibility, and outstanding mechanical properties. However, for practical applications of graphene for advanced water purification and desalination technologies, the creation of well controlled, high-density, and subnanometer diameter pores becomes a key factor. Here, we conduct reactive force-field molecular dynamics simulations to study the effect of external strain on nanopore creation in the suspended graphene by bombardment with Si clusters. Depending on the size and energy of the clusters, different kinds of topography were observed in the graphene sheet. In all the considered conditions, tensile strain results in the creation of nanopores with regular shape and smooth edges. On the contrary, compressive strain increases the elastic response of graphene to irradiation that leads to the formation of net-like defective structures with predominantly carbon atom chains. Our findings show the possibility of creating controlled nanopores in strained graphene by bombardment with Si clusters. Published by AIP Publishing.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000391535900022 Publication Date 2016-12-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 10 Open Access  
  Notes ; ; Approved Most recent IF: 2.068  
  Call Number UA @ lucian @ c:irua:141451 Serial 4554  
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