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Author Bernaerts, D.; Van Tendeloo, G.; Amelinckx, S.; Hevesi, K.; Gensterblum, G.; Yu, L.M.; Pireaux, J.J.; Grey, F.; Bohr, J.
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 (up) 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 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
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Author Lebedev, O.I.; Verbeeck, J.; Van Tendeloo, G.; Dubourdieu, C.; Rosina, M.; Chaudouët, P.
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 (up) 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 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
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Author Lebedev, O.I.; Hamet, J.F.; Van Tendeloo, G.; Beaumont, V.; Raveau, B.
Title Structure and properties of the YBa2Cu3O7-x/LaAlO3 superlattices Type A1 Journal article
Year 2001 Publication Journal of applied physics Abbreviated Journal (up) 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 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
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Author Rossell, M.D.; Lebedev, O.I.; Van Tendeloo, G.; Hayashi, N.; Terashima, T.; Takano, M.
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 (up) 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 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
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Author Baguer, N.; Bogaerts, A.; Gijbels, R.
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 (up) 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 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
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Author Baguer, N.; Bogaerts, A.; Donko, Z.; Gijbels, R.; Sadeghi, N.
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 (up) 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 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
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Author Baguer, N.; Bogaerts, A.
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 (up) 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 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
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Author Kao, K.-H.; Verhulst, A.S.; Van de Put, M.; Vandenberghe, W.G.; Sorée, B.; Magnus, W.; De Meyer, K.
Title Tensile strained Ge tunnel field-effect transistors: k\cdot p material modeling and numerical device simulation Type A1 Journal article
Year 2014 Publication Journal of applied physics Abbreviated Journal (up) J Appl Phys
Volume 115 Issue 4 Pages 044505-44508
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Group IV based tunnel field-effect transistors generally show lower on-current than III-V based devices because of the weaker phonon-assisted tunneling transitions in the group IV indirect bandgap materials. Direct tunneling in Ge, however, can be enhanced by strain engineering. In this work, we use a 30-band k.p method to calculate the band structure of biaxial tensile strained Ge and then extract the bandgaps and effective masses at Gamma and L symmetry points in k-space, from which the parameters for the direct and indirect band-to-band tunneling (BTBT) models are determined. While transitions from the heavy and light hole valence bands to the conduction band edge at the L point are always bridged by phonon scattering, we highlight a new finding that only the light-holelike valence band is strongly coupling to the conduction band at the Gamma point even in the presence of strain based on the 30-band k.p analysis. By utilizing a Technology Computer Aided Design simulator equipped with the calculated band-to-band tunneling BTBT models, the electrical characteristics of tensile strained Ge point and line tunneling devices are self-consistently computed considering multiple dynamic nonlocal tunnel paths. The influence of field-induced quantum confinement on the tunneling onset is included. Our simulation predicts that an on-current up to 160 (260) mu A/mu m can be achieved along with on/off ratio > 10(6) for V-DD = 0.5V by the n-type (p-type) line tunneling device made of 2.5% biaxial tensile strained Ge. (C) 2014 AIP Publishing LLC.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000331210800113 Publication Date 2014-01-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979;1089-7550; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 26 Open Access
Notes ; Authors would like to thank Dr. Mohammad Ali Pourghaderi for useful discussions on the nonparabolicity. Authors would also like to thank Professor Eddy Simoen and Dr. Yosuke Shimura for useful discussions about the validity of modeled bandgaps and effective masses. This work was also supported by IMEC's Industrial Affiliation Program. ; Approved Most recent IF: 2.068; 2014 IF: 2.183
Call Number UA @ lucian @ c:irua:115800 Serial 3505
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Author Zhao, C.X.; Xu, W.; Li, L.L.; Zhang, C.; Peeters, F.M.
Title Terahertz plasmon-polariton modes in graphene driven by electric field inside a Fabry-Perot cavity Type A1 Journal article
Year 2015 Publication Journal of applied physics Abbreviated Journal (up) J Appl Phys
Volume 117 Issue 117 Pages 223104
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We present a theoretical study on plasmon-polariton modes in graphene placed inside an optical cavity and driven by a source-to-drain electric field. The electron velocity and electron temperature are determined by solving self-consistently the momentum-and energy-balance equations in which electron interactions with impurities, acoustic-, and optic-phonons are included. Based on many-body self-consistent field theory, we develop a tractable approach to study plasmon-polariton in an electron gas system. We find that when graphene is placed inside a Fabry-Perot cavity, two branches of the plasmon-polariton modes can be observed and these modes are very much optic-or plasmon-like. The frequencies of these modes depend markedly on driving electric field especially at higher resonant frequency regime. Moreover, the plasmon-polariton frequency in graphene is in terahertz (THz) bandwidth and can be tuned by changing the cavity length, gate voltage, and driving electric field. This work is pertinent to the application of graphene-based structures as tunable THz plasmonic devices. (C) 2015 AIP Publishing LLC.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000356176100004 Publication Date 2015-06-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979;1089-7550; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 13 Open Access
Notes ; This work was supported by the Ministry of Science and Technology of China (Grant No. 2011YQ130018), Department of Science and Technology of Yunnan Province, and by the Chinese Academy of Sciences. F.M.P. was a specially appointed Professor for foreign expert at the Chinese Academy of Sciences. ; Approved Most recent IF: 2.068; 2015 IF: 2.183
Call Number c:irua:127076 Serial 3507
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Author Chu, D.P.; Peeters, F.M.; Kolodinski, S.; Roca, E.
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 (up) 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 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
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Author Berdiyorov, G.R.; Bahlouli, H.; Peeters, F.M.
Title Theoretical study of electronic transport properties of a graphene-silicene bilayer Type A1 Journal article
Year 2015 Publication Journal of applied physics Abbreviated Journal (up) J Appl Phys
Volume 117 Issue 117 Pages 225101
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Electronic transport properties of a graphene-silicene bilayer system are studied using density-functional theory in combination with the nonequilibrium Green's function formalism. Depending on the energy of the electrons, the transmission can be larger in this system as compared to the sum of the transmissions of separated graphene and silicene monolayers. This effect is related to the increased electron density of states in the bilayer sample. At some energies, the electronic states become localized in one of the layers, resulting in the suppression of the electron transmission. The effect of an applied voltage on the transmission becomes more pronounced in the layered sample as compared to graphene due to the larger variation of the electrostatic potential profile. Our findings will be useful when creating hybrid nanoscale devices where enhanced transport properties will be desirable. (C) 2015 AIP Publishing LLC.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000356176100040 Publication Date 2015-06-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979;1089-7550; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 10 Open Access
Notes ; H. B. and F. M. P. acknowledge support from King Fahd University of Petroleum and Minerals, Saudi Arabia, under the RG1329-1 and RG1329-2 DSR Projects. ; Approved Most recent IF: 2.068; 2015 IF: 2.183
Call Number c:irua:127075 Serial 3611
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Author de Sousa, J.S.; Covaci, L.; Peeters, F.M.; Farias, G.A.
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 (up) 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 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
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Author Papp, G.; Peeters, F.M.
Title Tunable giant magnetoresistance with magnetic barriers Type A1 Journal article
Year 2006 Publication Journal of applied physics Abbreviated Journal (up) 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 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
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Author Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M.
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 (up) 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 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
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Author Vandenberghe, W.; Sorée, B.; Magnus, W.; Groeseneken, G.
Title Zener tunneling in semiconductors under nonuniform electric fields Type A1 Journal article
Year 2010 Publication Journal of applied physics Abbreviated Journal (up) 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 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
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Author Schoeters, B.; Leenaerts, O.; Pourtois, G.; Partoens, B.
Title Ab-initio study of the segregation and electronic properties of neutral and charged B and P dopants in Si and Si/SiO2 nanowires Type A1 Journal article
Year 2015 Publication Journal of applied physics Abbreviated Journal (up) J Appl Phys
Volume 118 Issue 118 Pages 104306
Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We perform first-principles calculations to investigate the preferred positions of B and P dopants, both neutral and in their preferred charge state, in Si and Si/SiO2 core-shell nanowires (NWs). In order to understand the observed trends in the formation energy, we isolate the different effects that determine these formation energies. By making the distinction between the unrelaxed and the relaxed formation energy, we separate the impact of the relaxation from that of the chemical environment. The unrelaxed formation energies are determined by three effects: (i) the effect of strain caused by size mismatch between the dopant and the host atoms, (ii) the local position of the band edges, and (iii) a screening effect. In the case of the SiNW (Si/SiO2 NW), these effects result in an increase of the formation energy away from the center (interface). The effect of relaxation depends on the relative size mismatch between the dopant and host atoms. A large size mismatch causes substantial relaxation that reduces the formation energy considerably, with the relaxation being more pronounced towards the edge of the wires. These effects explain the surface segregation of the B dopants in a SiNW, since the atomic relaxation induces a continuous drop of the formation energy towards the edge. However, for the P dopants, the formation energy starts to rise when moving from the center but drops to a minimum just next to the surface, indicating a different type of behavior. It also explains that the preferential location for B dopants in Si/SiO2 core-shell NWs is inside the oxide shell just next to the interface, whereas the P dopants prefer the positions next to the interface inside the Si core, which is in agreement with recent experiments. These preferred locations have an important impact on the electronic properties of these core-shell NWs. Our simulations indicate the possibility of hole gas formation when B segregates into the oxide shell.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000361636900031 Publication Date 2015-09-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 3 Open Access
Notes This work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish government and the Universiteit Antwerpen. Approved Most recent IF: 2.068; 2015 IF: 2.183
Call Number c:irua:128729 Serial 4056
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Author De Schutter, B.; Van Stiphout, K.; Santos, N.M.; Bladt, E.; Jordan-Sweet, J.; Bals, S.; Lavoie, C.; Comrie, C.M.; Vantomme, A.; Detavernier, C.
Title Phase formation and texture of thin nickel germanides on Ge(001) and Ge(111) Type A1 Journal article
Year 2016 Publication Journal of applied physics Abbreviated Journal (up) J Appl Phys
Volume 119 Issue 119 Pages 135305
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We studied the solid-phase reaction between a thin Nifilm and a single crystal Ge(001) or Ge(111) substrate during a ramp anneal. The phase formation sequence was determined using in situX-ray diffraction and in situRutherford backscattering spectrometry (RBS), while the nature and the texture of the phases were studied using X-ray pole figures and transmission electron microscopy. The phase sequence is characterized by the formation of a single transient phase before NiGe forms as the final and stable phase. X-ray pole figures were used to unambiguously identify the transient phase as the ϵ-phase, a non-stoichiometric Ni-rich germanide with a hexagonal crystal structure that can exist for Ge concentrations between 34% and 48% and which forms with a different epitaxial texture on both substrate orientations. The complementary information gained from both RBS and X-ray pole figure measurements revealed a simultaneous growth of both the ϵ-phase and NiGe over a small temperature window on both substrate orientations.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000374150200035 Publication Date 2016-04-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 14 Open Access OpenAccess
Notes The authors thank the FWO-vlaanderen, BOF-UGent (under Contract No. “GOA 01G01513”) and the Hercules Foundation (under Project No. “AUGE/09/014”) for financial support. S. Bals acknowledges financial support from European Research Council (ERC Starting Grant No. “#335078-COLOURATOMS”). A. Vantomme thanks the BOF-KULeuven (under Contract No. “GOA/14/007”) and the Joint Science and Technology Collaboration between the FWO (G.0031.14) and NRF (UID88013). The National Synchrotron Light Source (NSLS), Brookhaven National Laboratory, was supported by the U.S. Department of Energy, Office of Basic Energy Sciences (Contract No. DE-AC02-98CH10886).; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:restricted); Approved Most recent IF: 2.068
Call Number c:irua:132897 Serial 4066
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Author Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D.
Title First-principles study of the optoelectronic properties and photovoltaic absorber layer efficiency of Cu-based chalcogenides Type A1 Journal article
Year 2016 Publication Journal of applied physics Abbreviated Journal (up) J Appl Phys
Volume 120 Issue 120 Pages 085707
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract Cu-based chalcogenides are promising materials for thin-film solar cells with more than 20% measured

cell efficiency. Using first-principles calculations based on density functional theory, the

optoelectronic properties of a group of Cu-based chalcogenides Cu2-II-IV-VI4 is studied. They are

then screened with the aim of identifying potential absorber materials for photovoltaic applications.

The spectroscopic limited maximum efficiency (SLME) introduced by Yu and Zunger [Phys. Rev.

Lett. 108, 068701 (2012)] is used as a metric for the screening. After constructing the currentvoltage

curve, the SLME is calculated from the maximum power output. The role of the nature of

the band gap, direct or indirect, and also of the absorptivity of the studied materials on the maximum

theoretical power conversion efficiency is studied. Our results show that Cu2II-GeSe4 with

II¼ Cd and Hg, and Cu2-II-SnS4 with II ¼ Cd, Hg, and Zn have a higher theoretical efficiency

compared with the materials currently used as absorber layer.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000383913400074 Publication Date 2016-08-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 29 Open Access
Notes We acknowledge the financial support from the FWO-Vlaanderen through project G.0150.13N and a GOA fund from the University of Antwerp. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), bothfunded by the FWO-Vlaanderen and the Flemish Government–department EWI. Approved Most recent IF: 2.068
Call Number c:irua:135089 Serial 4113
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Author Clima, S.; Chen, Y.Y.; Chen, C.Y.; Goux, L.; Govoreanu, B.; Degraeve, R.; Fantini, A.; Jurczak, M.; Pourtois, G.
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 (up) 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 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.
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 (up) 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 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.
Title Inter-ribbon tunneling in graphene: An atomistic Bardeen approach Type A1 Journal article
Year 2016 Publication Journal of applied physics Abbreviated Journal (up) 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 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.
Title Modeling surface roughness scattering in metallic nanowires Type A1 Journal article
Year 2015 Publication Journal of applied physics Abbreviated Journal (up) 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 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.
Title Pentagonal monolayer crystals of carbon, boron nitride, and silver azide Type A1 Journal article
Year 2015 Publication Journal of applied physics Abbreviated Journal (up) 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 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.
Title Quantum tunneling between bent semiconductor nanowires Type A1 Journal article
Year 2015 Publication Journal of applied physics Abbreviated Journal (up) 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 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.
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 (up) 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 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.
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 (up) 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 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.
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 (up) 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 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.
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 (up) 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 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.
Title Anisotropic electronic, mechanical, and optical properties of monolayer WTe2 Type A1 Journal article
Year 2016 Publication Journal of applied physics Abbreviated Journal (up) 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 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.
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 (up) 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 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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