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Author Shi, J.M.; Koenraad, P.M.; van de Stadt, A.F.W.; Peeters, F.M.; Devreese, J.T.; Wolter, J.H.
Title Effects of the DX centers on electronic structure of a δ-doped quantum barrier Type P3 Proceeding
Year 1996 Publication Abbreviated Journal
Volume Issue Pages (down) 2355-2358
Keywords P3 Proceeding; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher World Scientific Place of Publication Singapore Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:15807 Serial 872
Permanent link to this record
 
 
Author Koenraad, P.M.; Shi, J.M.; van de Stadt, A.F.W.; Smets, A.; Perenboom, J.A.A.J.; Peeters, F.M.; Devreese, J.T.; Wolter, J.H.
Title Charged-impurity correlations in a δ-doped quantum barrier Type P3 Proceeding
Year 1996 Publication Abbreviated Journal
Volume Issue Pages (down) 2351-2354
Keywords P3 Proceeding; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher World Scientific Place of Publication Singapore Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:15806 Serial 340
Permanent link to this record
 
 
Author Shi, J.M.; Koenraad, P.M.; van de Stadt, A.F.W.; Peeters, F.M.; Devreese, J.T.; Wolter, J.H.
Title Charged-impurity correlations in Si ?-doped GaAs Type P3 Proceeding
Year 1996 Publication Abbreviated Journal
Volume Issue Pages (down) 2351-2354
Keywords P3 Proceeding; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Singapore Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved MATERIALS SCIENCE, MULTIDISCIPLINARY 135/271 Q2 # PHYSICS, APPLIED 70/145 Q2 # PHYSICS, CONDENSED MATTER 40/67 Q3 #
Call Number UA @ lucian @ c:irua:20368 Serial 341
Permanent link to this record
 
 
Author Aierken, Y.; Sevik, C.; Gulseren, O.; Peeters, F.M.; Çakir, D.
Title MXenes/graphene heterostructures for Li battery applications : a first principles study Type A1 Journal article
Year 2018 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A
Volume 6 Issue 5 Pages (down) 2337-2345
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract MXenes are the newest class of two-dimensional (2D) materials, and they offer great potential in a wide range of applications including electronic devices, sensors, and thermoelectric and energy storage materials. In this work, we combined the outstanding electrical conductivity, that is essential for battery applications, of graphene with MXene monolayers (M2CX2 where M = Sc, Ti, V and X = OH, O) to explore its potential in Li battery applications. Through first principles calculations, we determined the stable stacking configurations of M2CX2/graphene bilayer heterostructures and their Li atom intercalation by calculating the Li binding energy, diffusion barrier and voltage. We found that: (1) for the ground state stacking, the interlayer binding is strong, yet the interlayer friction is small; (2) Li binds more strongly to the O-terminated monolayer, bilayer and heterostructure MXene systems when compared with the OHterminated MXenes due to the H+ induced repulsion to the Li atoms. The binding energy of Li decreases as the Li concentration increases due to enhanced repulsive interaction between the positively charged Li ions; (3) Ti2CO2/graphene and V2CO2/graphene heterostructures exhibit large Li atom binding energies making them the most promising candidates for battery applications. When fully loaded with Li atoms, the binding energy is -1.43 eV per Li atom and -1.78 eV per Li atom for Ti2CO2/graphene and V2CO2/graphene, respectively. These two heterostructures exhibit a nice compromise between storage capacity and kinetics. For example, the diffusion barrier of Li in Ti2CO2/graphene is around 0.3 eV which is comparable to that of graphite. Additionally, the calculated average voltages are 1.49 V and 1.93 V for Ti2CO2/graphene and V2CO2/graphene structures, respectively; (4) a small change in the in-plane lattice parameters (<1%), interatomic bond lengths and interlayer distances (<0.5 angstrom) proves the stability of the heterostructures against Li intercalation, and the impending phase separation into constituent layers and capacity fading during charge-discharge cycles in real battery applications; (5) as compared to bare M2CX2 bilayers, M2CX2/graphene heterostructures have lower molecular mass, offering high storage capacity; (6) the presence of graphene ensures good electrical conductivity that is essential for battery applications. Given these advantages, Ti2CO2/graphene and V2CO2/graphene heterostructures are predicted to be promising for lithium-ion battery applications.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000423981200049 Publication Date 2018-01-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2050-7488; 2050-7496 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.867 Times cited 131 Open Access
Notes ; This work was supported by the bilateral project between the Scientific and Technological Research Council of Turkey (TUBITAK) and FWO-Flanders, Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by the TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRGrid 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. We acknowledge the support from the TUBITAK (Grant No. 115F024 and 116F080). Part of this work was supported by the BAGEP Award of the Science Academy. ; Approved Most recent IF: 8.867
Call Number UA @ lucian @ c:irua:149265UA @ admin @ c:irua:149265 Serial 4945
Permanent link to this record
 
 
Author Matulis, A.; Zarenia, M.; Peeters, F.M.
Title Wave fronts and packets in 1D models of different meta-materials : graphene, left-handed media and transmission line Type A1 Journal article
Year 2015 Publication Physica status solidi: B: basic research Abbreviated Journal Phys Status Solidi B
Volume 252 Issue 252 Pages (down) 2330-2338
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract A comparative study is made of the propagation of wave packets and fronts in three different meta-media, i.e. graphene, left-handed media (LHM) and transmission lines, using one-dimensional models. It is shown that a potential step in graphene influences only the frequency of the electronic wave, i.e., the particular spectrum branch (electron or hole) to which the wave belongs to, while the envelop function (the wave front or packet form) remains unchanged. Although the model for a vacuum and LHM interface is similar to that of the potential step in graphene, the solutions are quite different due to differences in the chirality of the waves. Comparing the propagation of wave fronts and packets in a standard transmission line and its meta-analog we demonstrate that the propagating packets in the meta-line are much more deformed as compared to the standard one, including broadening, asymmetry and even the appearance of fast moving precursors. This influence is seen not only in the case of packets with steep fronts but in soft Gaussian packets as well.
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000362722300025 Publication Date 2015-07-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0370-1972 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.674 Times cited 1 Open Access
Notes ; This work was financially supported by the Flemish Science Foundation (FWO-Vl), the Methusalem foundation of the Flemish government, and the European Social Fund under the Global Grant Measure (Grant No. VP1-3.1-SMM-07-K-02-046). ; Approved Most recent IF: 1.674; 2015 IF: 1.489
Call Number UA @ lucian @ c:irua:128776 Serial 4277
Permanent link to this record
 
 
Author Michel, K.H.; Neek-Amal, M.; Peeters, F.M.
Title Static flexural modes and piezoelectricity in 2D and layered crystals Type A1 Journal article
Year 2016 Publication Physica status solidi: B: basic research Abbreviated Journal Phys Status Solidi B
Volume 253 Issue 253 Pages (down) 2311-2315
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Piezo- and flexoelectricity are manifestations of electromechanical coupling in solids with potential applications in nanoscale materials. Naumov etal. [Phys. Rev. Lett. 102, 217601 (2009)] have shown by first principles calculations that a monolayer BN sheet becomes macroscopically polarized in-plane when in a corrugated state. Here, we investigate the interplay of layer corrugation and in-plane polarization by atomistic lattice dynamics. We treat the coupling between static flexural modes and in-plane atomic ion displacements as an anharmonic effect, similar to the membrane effect that is at the origin of negative thermal expansion in layered crystals. We have derived analytical expressions for the corrugation-induced static in-plane strains and the optical displacements with the resulting polarization response functions. Beyond h-BN, the theory applies to transition metal dichalcogenides and dioxides. Numerical calculations show that the effects are considerably stronger for 2D h-BN than for 2H-MoS2.
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000390339000002 Publication Date 2016-10-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0370-1972 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.674 Times cited 5 Open Access
Notes ; The authors acknowledge useful discussions with L. Wirtz, A. Molina-Sanchez, and C. Sevik. This work was supported by the ESF-Eurographene project CONGRAN, and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 1.674
Call Number UA @ lucian @ c:irua:140309 Serial 4462
Permanent link to this record
 
 
Author Xu, W.; Peeters, F.M.; Devreese, J.T.
Title Normal and hot electro-phonon resonance effect in a quasi-two-dimensional semiconductor system Type A1 Journal article
Year 1993 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 5 Issue 15 Pages (down) 2307-2320
Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract The electro-phonon resonance effect is a consequence of a resonant interaction between two electric subbands mediated by an optical phonon. It occurs in a quasi-two-dimensional electron system each time the energy difference between two electric subbands equals the energy of a Lo phonon. We study the influence of this effect on the electron mobility by using the momentum balance equation. The temperature and electron density dependences of the resonances are studied in the linear and non-linear response regimes.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1993KX70100004 Publication Date 2002-08-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.346 Times cited 18 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:102984 Serial 2367
Permanent link to this record
 
 
Author Croitoru, M.D.; Gladilin, V.N.; Fomin, V.M.; Devreese, J.T.; Magnus, W.; Schoenmaker, W.; Sorée, B.
Title Quantum transport in a nanosize double-gate metal-oxide-semiconductor field-effect transistor Type A1 Journal article
Year 2004 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 96 Issue Pages (down) 2305-2310
Keywords A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT); 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 000223055100081 Publication Date 2004-08-02
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
Notes Approved Most recent IF: 2.068; 2004 IF: 2.255
Call Number UA @ lucian @ c:irua:49454 Serial 2792
Permanent link to this record
 
 
Author Verberck, B.; Michel, K.H.
Title Nanotube field of C60 and C70 molecules in carbon nanotubes Type A1 Journal article
Year 2007 Publication International journal of quantum chemistry Abbreviated Journal Int J Quantum Chem
Volume 107 Issue 13 Pages (down) 2294-2319
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000249459800002 Publication Date 2007-02-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-7608;1097-461X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.92 Times cited 6 Open Access
Notes Approved Most recent IF: 2.92; 2007 IF: 1.368
Call Number UA @ lucian @ c:irua:65785 Serial 2282
Permanent link to this record
 
 
Author Shi, J.M.; Peeters, F.M.; Devreese, J.T.; Cheng, J.-P.; Kono, J.; McCombe, B.D.
Title Effects of confinement in strongly-coupled superlattices on impurity bound magneto-polarons Type P3 Proceeding
Year 1994 Publication Proceedings of the International Conference on the Physics of Semiconductors Abbreviated Journal
Volume 22 Issue Pages (down) 2267-2270
Keywords P3 Proceeding; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:9285 Serial 858
Permanent link to this record
 
 
Author Bafekry, A.; Stampfl, C.; Akgenc, B.; Ghergherehchi, M.
Title Control of C3N4 and C4N3 carbon nitride nanosheets' electronic and magnetic properties through embedded atoms Type A1 Journal article
Year 2020 Publication Physical Chemistry Chemical Physics Abbreviated Journal Phys Chem Chem Phys
Volume 22 Issue 4 Pages (down) 2249-2261
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract In the present work, the effect of various embedded atom impurities on tuning electronic and magnetic properties of C3N4 and C4N3 nanosheets have been studied using first-principles calculations. Our calculations show that C3N4 is a semiconductor and it exhibits extraordinary electronic properties such as dilute-magnetic semiconductor (with H, F, Cl, Be, V, Fe and Co); metal (with N, P, Mg and Ca), half-metal (with Li, Na, K, Al, Sc, Cr, Mn, and Cu) and semiconductor (with O, S, B, C, Si, Ti, Ni and Zn) with the band gaps in the range of 0.3-2.0 eV depending on the species of embedded atom. The calculated electronic properties reveal that C4N3 is a half-metal and it retains half-metallic character with embedded H, O, S, F, B, N, P, Be, Mg, Al, Sc, V, Fe, Ni and Zn atoms. The substitution of Cl, C, Cr and Mn atoms create ferromagnetic-metal character in the C4N3 nanosheet, embedded Co and Cu atoms exhibit a dilute-magnetic semiconductor nature, and embedded Ti atoms result in the system becoming a semiconductor. Therefore, our results reveal the fact that the band gap and magnetism can be modified or induced by various atom impurities, thus, offering effective possibilities to tune the electronic and magnetic properties of C3N4 and C4N3 nanosheets.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000510729400042 Publication Date 2019-12-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076; 1463-9084 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.3 Times cited 18 Open Access
Notes ; This work has supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). B. Akgenc acknowledges financial support the Kirklareli University-BAP under the Project No 189 and TUBITAK ULAKBIM, High Performance and Grid Computing Center. ; Approved Most recent IF: 3.3; 2020 IF: 4.123
Call Number UA @ admin @ c:irua:166553 Serial 6476
Permanent link to this record
 
 
Author Krugel, A.; Axt, V.M.; Kuhn, T.; Vagov, A.; Peeters, F.M.
Title Coherent nonlinear optical response of excitons and biexcitons in quantum dots coupled to phonons Type A1 Journal article
Year 2006 Publication Physica status solidi B – basic solid state physics Abbreviated Journal Phys Status Solidi B
Volume 243 Issue 10 Pages (down) 2241-2246
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000239932300006 Publication Date 2006-08-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0370-1972;1521-3951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.674 Times cited 1 Open Access
Notes Approved Most recent IF: 1.674; 2006 IF: 0.967
Call Number UA @ lucian @ c:irua:60892 Serial 380
Permanent link to this record
 
 
Author Vagov, A.; Croitoru, M.D.; Axt, V.M.; Kuhn, T.; Peeters, F.M.
Title High pulse area undamping of Rabi oscillations in quantum dots coupled to phonons Type A1 Journal article
Year 2006 Publication Physica status solidi B – Basic solid state physics Abbreviated Journal Phys Status Solidi B
Volume 243 Issue 10 Pages (down) 2233-2240
Keywords A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000239932300005 Publication Date 2006-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0370-1972;1521-3951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.674 Times cited 16 Open Access
Notes Approved Most recent IF: 1.674; 2006 IF: 0.967
Call Number UA @ lucian @ c:irua:60891 Serial 1440
Permanent link to this record
 
 
Author Vos, W.; de Backer, J.; Devolder, A.; Vanderveken, O.; Verhulst, S.; Salgado, R.; Germonpré, P.; Partoens, B.; Wuyts, F.; Parizel, P.; de Backer, W.
Title Correlation between severity of sleep apnea and upper airway morphology based on advanced anatomical and functional imaging Type A1 Journal article
Year 2007 Publication Journal of biomechanics Abbreviated Journal J Biomech
Volume 40 Issue 10 Pages (down) 2207-2213
Keywords A1 Journal article; Condensed Matter Theory (CMT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP); Translational Neurosciences (TNW)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000248468000011 Publication Date 2006-12-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-9290; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.664 Times cited 86 Open Access
Notes Approved Most recent IF: 2.664; 2007 IF: 2.897
Call Number UA @ lucian @ c:irua:62425 Serial 523
Permanent link to this record
 
 
Author Papp, G.; Peeters, F.M.
Title Spin filtering in a magnetic-potential barrier structures Type A1 Journal article
Year 2001 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 78 Issue Pages (down) 2184-2186
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 000167881500031 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 234 Open Access
Notes Approved Most recent IF: 3.411; 2001 IF: 3.849
Call Number UA @ lucian @ c:irua:37312 Serial 3089
Permanent link to this record
 
 
Author Michel, K.H.; Verberck, B.
Title Theory of the elastic constants of graphite and graphene Type A1 Journal article
Year 2008 Publication Physica status solidi: B: basic research Abbreviated Journal Phys Status Solidi B
Volume 245 Issue 10 Pages (down) 2177-2180
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Born's long wave method is used to study the elastic properties of graphite and graphene. Starting from an empirical force constant model derived from full inplane phonon dispersions of graphite [Mohr et al., Phys. Rev. B 76, 035439 (2007)] we calculate the tension coefficients of graphene. Extending the model by interplanar interactions, we calculate the elastic constants of graphite. The agreement of our theoretical values with inelastic x-ray scattering results on elastic constants of graphite [Bosak et al., Phys. Rev. B 75, 153408 (2007)] is very satisfactory.
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000260581800066 Publication Date 2008-08-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0370-1972; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.674 Times cited 47 Open Access
Notes Approved Most recent IF: 1.674; 2008 IF: 1.166
Call Number UA @ lucian @ c:irua:75660 Serial 3621
Permanent link to this record
 
 
Author Bussmann-Holder, A.; Michel, K.H.
Title Bond geometry and phase transition mechanism of H-bonded ferroelectricity Type A1 Journal article
Year 1998 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 80 Issue Pages (down) 2173-2176
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000072385400037 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited 81 Open Access
Notes Approved Most recent IF: 8.462; 1998 IF: 6.017
Call Number UA @ lucian @ c:irua:23987 Serial 246
Permanent link to this record
 
 
Author da Costa, W.B.; Peeters, F.M.
Title The polaron-bipolaron transition for acoustical three-dimensional polarons Type A1 Journal article
Year 1996 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 8 Issue Pages (down) 2173-2183
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1996UD88400009 Publication Date 2002-08-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.346 Times cited 10 Open Access
Notes Approved
Call Number UA @ lucian @ c:irua:15799 Serial 2661
Permanent link to this record
 
 
Author Peelaers, H.; Partoens, B.; Peeters, F.M.
Title First-principles study of doped Si and Ge nanowires Type A1 Journal article
Year 2008 Publication Physica. E: Low-dimensional systems and nanostructures Abbreviated Journal Physica E
Volume 40 Issue 6 Pages (down) 2169-2171
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000255717400123 Publication Date 2007-12-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1386-9477; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.221 Times cited 7 Open Access
Notes Approved Most recent IF: 2.221; 2008 IF: 1.230
Call Number UA @ lucian @ c:irua:69134 Serial 1217
Permanent link to this record
 
 
Author Li, L.; Leenaerts, O.; Kong, X.; Chen, X.; Zhao, M.; Peeters, F.M.
Title Gallium bismuth halide GaBi-X2 (X = I, Br, Cl) monolayers with distorted hexagonal framework: Novel room-temperature quantum spin Hall insulators Type A1 Journal article
Year 2017 Publication Nano Research Abbreviated Journal Nano Res
Volume 10 Issue 10 Pages (down) 2168-2180
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Quantum spin Hall (QSH) insulators with a large topologically nontrivial bulk gap are crucial for future applications of the QSH effect. Among these, group III-V monolayers and their halides, which have a chair structure (regular hexagonal framework), have been widely studied. Using first-principles calculations, we formulate a new structure model for the functionalized group III-V monolayers, which consist of rectangular GaBi-X-2 (X = I, Br, Cl) monolayers with a distorted hexagonal framework (DHF). These structures have a far lower energy than the GaBi-X-2 monolayers with a chair structure. Remarkably, the DHF GaBi-X-2 monolayers are all QSH insulators, which exhibit sizeable nontrivial band gaps ranging from 0.17 to 0.39 eV. The band gaps can be widely tuned by applying different spin-orbit coupling strengths, resulting in a distorted Dirac cone.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000401320700029 Publication Date 2017-04-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1998-0124 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.354 Times cited 15 Open Access
Notes ; This work was supported by the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation-Flanders (FWO) and the Flemish Government-department EWI. ; Approved Most recent IF: 7.354
Call Number UA @ lucian @ c:irua:143739 Serial 4598
Permanent link to this record
 
 
Author Slachmuylders, A.F.; Partoens, B.; Magnus, W.; Peeters, F.M.
Title The effect of the dielectric mismatch on excitons and trions in freestanding nanowires Type A1 Journal article
Year 2008 Publication Physica. E: Low-dimensional systems and nanostructures Abbreviated Journal Physica E
Volume 40 Issue 6 Pages (down) 2166-2168
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000255717400122 Publication Date 2007-12-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1386-9477; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.221 Times cited 3 Open Access
Notes Approved Most recent IF: 2.221; 2008 IF: 1.230
Call Number UA @ lucian @ c:irua:69155 Serial 846
Permanent link to this record
 
 
Author Tso, H.C.; Vasilopoulos, P.; Peeters, F.M.
Title Coulomb coupling between spatially separated electron and hole layers: generalized random-phase approximation Type A1 Journal article
Year 1993 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 70 Issue Pages (down) 2146-2149
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract http://dx.doi.org/doi:10.1103/PhysRevLett.70.2146
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos A1993KV97400024 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.512 Times cited 58 Open Access
Notes Approved PHYSICS, APPLIED 28/145 Q1 #
Call Number UA @ lucian @ c:irua:5786 Serial 531
Permanent link to this record
 
 
Author Bals, S.; Kisielowski, C.; Croitoru, M.; Van Tendeloo, G.
Title Tomography using annular dark field imaging in TEM Type A3 Journal article
Year 2005 Publication Microscopy and microanalysis Abbreviated Journal
Volume 11 Issue S Pages (down) 2118-2119
Keywords A3 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:54880 Serial 3672
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Author Berdiyorov, G.R.; Neek-Amal, M.; Hussein, I.A.; Madjet, M.E.; Peeters, F.M.
Title Large CO2 uptake on a monolayer of CaO Type A1 Journal article
Year 2017 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A
Volume 5 Issue 5 Pages (down) 2110-2114
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Density functional theory calculations are used to study gas adsorption properties of a recently synthesized CaO monolayer, which is found to be thermodynamically stable in its buckled form. Due to its topology and strong interaction with the CO2 molecules, this material possesses a remarkably high CO2 uptake capacity (similar to 0.4 g CO2 per g adsorbent). The CaO + CO2 system shows excellent thermal stability (up to 1000 K). Moreover, the material is highly selective towards CO2 against other major greenhouse gases such as CH4 and N2O. These advantages make this material a very promising candidate for CO2 capture and storage applications.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000395074300035 Publication Date 2016-12-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2050-7488; 2050-7496 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.867 Times cited 2 Open Access
Notes ; ; Approved Most recent IF: 8.867
Call Number UA @ lucian @ c:irua:142034 Serial 4556
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Author Brosens, F.; Magnus, W.
Title Newtonian trajectories : a powerful tool for solving quantum dynamics Type A1 Journal article
Year 2010 Publication Solid state communications Abbreviated Journal Solid State Commun
Volume 150 Issue 43/44 Pages (down) 2102-2105
Keywords A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)
Abstract Since Ehrenfests theorem, the role and importance of classical paths in quantum dynamics have been examined by several means. Along this line, we show that the classical equations of motion provide a solution to quantum dynamics, if appropriately incorporated into the Wigner distribution function, exactly reformulated in a type of Boltzmann equation. Also the quantum-mechanical features of the canonical ensemble can be studied in this framework of Newtonian dynamics, if the initial distribution function is appropriately constructed from the statistical operator.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000284251700006 Publication Date 2010-09-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0038-1098; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.554 Times cited 7 Open Access
Notes ; The authors thank J.T. Devreese and J. Tempere for interesting and helpful discussions, and, in particular, L.F. Lemmens for several valuable suggestions. One of the authors (F.B.) acknowledges the FWO projects G.0115.06 and G.0365.08 as well as the WOG project WO.033.09N, for financial support. ; Approved Most recent IF: 1.554; 2010 IF: 1.981
Call Number UA @ lucian @ c:irua:85795 Serial 2338
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Author Kao, K.-H.; Verhulst, A.S.; Vandenberghe, W.G.; Sorée, B.; Magnus, W.; Leonelli, D.; Groeseneken, G.; De Meyer, K.
Title Optimization of gate-on-source-only tunnel FETs with counter-doped pockets Type A1 Journal article
Year 2012 Publication IEEE transactions on electron devices Abbreviated Journal Ieee T Electron Dev
Volume 59 Issue 8 Pages (down) 2070-2077
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We investigate a promising tunnel FET configuration having a gate on the source only, which is simultaneously exhibiting a steeper subthreshold slope and a higher ON-current than the lateral tunneling configuration with a gate on the channel. Our analysis is performed based on a recently developed 2-D quantum-mechanical simulator calculating band-to-band tunneling and including quantum confinement (QC). It is shown that the two disadvantages of the structure, namely, the sensitivity to gate alignment and the physical oxide thickness, are mitigated by placing a counter-doped parallel pocket underneath the gate-source overlap. The pocket also significantly reduces the field-induced QC. The findings are illustrated with all-Si and all-Ge gate-on-source-only tunnel field-effect transistor simulations.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000306920200011 Publication Date 2012-06-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0018-9383;1557-9646; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.605 Times cited 72 Open Access
Notes ; Manuscript received February 17, 2012; revised May 7, 2012; accepted May 11, 2012. Date of publication June 26, 2012; date of current version July 19, 2012. This work was supported by the Interuniversity Microelectronics Center's Industrial Affiliation Program. The work of W. G. Vandenberghe was supported by the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen) through a Ph.D. stipend. The review of this paper was arranged by Editor H. S. Momose. ; Approved Most recent IF: 2.605; 2012 IF: 2.062
Call Number UA @ lucian @ c:irua:100820 Serial 2487
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Author Freire, J.A.K.; Matulis, A.; Peeters, F.M.; Freire, V.N.; Farias, G.A.
Title Exciton trapping in a hybrid ferromagnetic/semiconductor magnetic antidot Type A1 Journal article
Year 2001 Publication Journal of magnetism and magnetic materials Abbreviated Journal J Magn Magn Mater
Volume 226/230 Issue Pages (down) 2038-2039
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000170628400349 Publication Date 2002-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-8853; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.63 Times cited 2 Open Access
Notes Approved Most recent IF: 2.63; 2001 IF: 1.329
Call Number UA @ lucian @ c:irua:37314 Serial 1119
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Author Dixit, H.; Saniz, R.; Lamoen, D.; Partoens, B.
Title Accurate pseudopotential description of the GW bandstructure of ZnO Type A1 Journal article
Year 2011 Publication Computer physics communications Abbreviated Journal Comput Phys Commun
Volume 182 Issue 9 Pages (down) 2029-2031
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract We present the GW band structure of ZnO in its wurtzite (WZ), zincblende (ZB) and rocksalt (RS) phases at the Γ point, calculated within the GW approximation. We have used a Zn20+ pseudopotential which is essential for the adequate treatment of the exchange interaction in the self-energy. The accuracy of the pseudopotential used is also discussed. The effect of the pd hybridization on the GW corrections to the band gap is correlated by comparing the ZB and RS phase.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000292675100062 Publication Date 2011-02-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0010-4655; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.936 Times cited 18 Open Access
Notes ; ; Approved Most recent IF: 3.936; 2011 IF: 3.268
Call Number UA @ lucian @ c:irua:90761 Serial 51
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Author Iyikanat, F.; Yagmurcukardes, M.; Senger, R.T.; Sahin, H.
Title Tuning electronic and magnetic properties of monolayer \alpha-RuCl3 by in-plane strain Type A1 Journal article
Year 2018 Publication Journal of materials chemistry C : materials for optical and electronic devices Abbreviated Journal J Mater Chem C
Volume 6 Issue 8 Pages (down) 2019-2025
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract By employing density functional theory-based methods, the structural, vibrational, electronic, and magnetic properties of monolayer -RuCl3 were investigated. It was demonstrated that ferromagnetic (FM) and zigzag-antiferromagnetic (ZZ-AFM) spin orders in the material have very close total energies with the latter being the ground state. We found that each Ru atom possesses a magnetic moment of 0.9 (B) and the material exhibits strong magnetic anisotropy. While both phases exhibit indirect gaps, the FM phase is a magnetic semiconductor and the ZZ-AFM phase is a non-magnetic semiconductor. The structural stability of the material was confirmed by phonon calculations. Moreover, dynamical analysis revealed that the magnetic order in the material can be monitored via Raman measurements of the crystal structure. In addition, the magnetic ground state of the material changes from ZZ-AFM to FM upon certain applied strains. Valence and conduction band-edges of the material vary considerably under in-plane strains. Owing to the stable lattice structure and unique and controllable magnetic properties, monolayer -RuCl3 is a promising material in nanoscale device applications.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000426483800015 Publication Date 2018-01-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2050-7526; 2050-7534 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.256 Times cited 16 Open Access
Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H. S. acknowledges financial support from TUBITAK under project number 116C073. H. S. also acknowledges support from Bilim Akademisi-The Science Academy, Turkey, under the BAGEP program. ; Approved Most recent IF: 5.256
Call Number UA @ lucian @ c:irua:149900UA @ admin @ c:irua:149900 Serial 4952
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Author Verberck, B.; Cambedouzou, J.; Vliegenthart, G.A.; Gompper, G.; Launois, P.
Title A Monte Carlo study of C70 molecular motion in C70@SWCNT peapods Type A1 Journal article
Year 2011 Publication Carbon Abbreviated Journal Carbon
Volume 49 Issue 6 Pages (down) 2007-2021
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We present Monte Carlo simulations of chains of C70 molecules encapsulated in a single-walled carbon nanotube (SWCNT). For various tube radii R (6.5 Å less-than-or-equals, slant R less-than-or-equals, slant 7.5 Å), we analyze rotational and translational motion of the C70 molecules, as a function of temperature. Apart from reproducing the experimentally well-established lying and standing molecular orientations for small and large tube radii, respectively, we observe, depending on the tube diameter, a variety of molecular motions, orientational flipping of lying molecules, and the migration of molecules resulting in a continual rearrangement of the C70 molecules in clusters of varying lengths. With increasing temperature, the evolution of the pair correlation functions reveals a transition from linear harmonic chain behavior to a hard-sphere liquid, making C70@SWCNT peapods tunable physical realizations of two well-known one-dimensional model systems.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000288689900025 Publication Date 2011-01-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0008-6223; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.337 Times cited 10 Open Access
Notes ; Helpful discussions with K.H. Michel, P.-A. Albouy and C. Bousige are greatly acknowledged. This work was financially supported by the Research Foundation – Flanders (FWO-Vl). B.V. is a Postdoctoral Fellow of the Research Foundation Flanders (FWO-VI). ; Approved Most recent IF: 6.337; 2011 IF: 5.378
Call Number UA @ lucian @ c:irua:89660 Serial 2201
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