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Author (up) de Sousa, A.A.; Chaves, A.; Pereira, T.A.S.; de Farias, G.A.; Peeters, F.M. pdf  doi
openurl 
  Title Wave packet propagation through branched quantum rings under applied magnetic fields Type A1 Journal article
  Year 2019 Publication Physica. E: Low-dimensional systems and nanostructures Abbreviated Journal Physica E  
  Volume 114 Issue 114 Pages 113598  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract We investigate the effect of opening and closing pathways on the dynamics of electron wave packets in semiconductor quantum rings with different geometries. Our analysis is based on the time evolution of an electron wave packet, within the effective-mass approximation. We demonstrate that opening an extra channel in the quantum ring does not necessarily improve the electron transmission and, depending on the extra channel width, may even reduce it, either due to enhancement of quantum scattering or due to interference. In the latter case, transmission reduction can be controlled through the Aharonov-Bohm phase of the wave function, via an applied magnetic field. It is also shown that, closing one of the channels of the quantum ring, system improves the transmission probability under specific conditions, an effect which is a quantum analog of the Braess paradox.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000482637000039 Publication Date 2019-06-13  
  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 Open Access  
  Notes ; This work was financially supported by PRONEX/CNPq/FUNCAP, Science Without Boards (Ciencias Sem Fronteiras) and the bilateral project CNPq-FWO. A. A. Sousa was financially supported by CAPES, under the PDSE contract 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. ; Approved Most recent IF: 2.221  
  Call Number UA @ admin @ c:irua:162777 Serial 5432  
Permanent link to this record
 
 
Author (up) de Sousa, A.A.; Chaves, A.; Pereira, T.A.S.; Farias, G.A.; Peeters, F.M. doi  openurl
  Title Quantum tunneling between bent semiconductor nanowires Type A1 Journal article
  Year 2015 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 118 Issue 118 Pages 174301  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We theoretically investigate the electronic transport properties of two closely spaced L-shaped semiconductor quantum wires, for different configurations of the output channel widths as well as the distance between the wires. Within the effective-mass approximation, we solve the time-dependent Schrodinger equation using the split-operator technique that allows us to calculate the transmission probability, the total probability current, the conductance, and the wave function scattering between the energy subbands. We determine the maximum distance between the quantum wires below which a relevant non-zero transmission is still found. The transmission probability and the conductance show a strong dependence on the width of the output channel for small distances between the wires. (C) 2015 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000364584200020 Publication Date 2015-11-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 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  
Permanent link to this record
 
 
Author (up) de Sousa, G.O.; da Costa, D.R.; Chaves, A.; Farias, G.A.; Peeters, F.M. url  doi
openurl 
  Title Unusual quantum confined Stark effect and Aharonov-Bohm oscillations in semiconductor quantum rings with anisotropic effective masses Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 95 Issue 95 Pages 205414  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The effects of external electric and magnetic fields on the energy spectrum of quantum rings made out of a bidimensional semiconductor material with anisotropic band structures are investigated within the effective-mass model. The interplay between the effective-mass anisotropy and the radial confinement leads to wave functions that are strongly localized at two diametrically opposite regions where the kinetic energy is lowest due to the highest effective mass. We show that this quantum phenomenon has clear consequences on the behavior of the energy states in the presence of applied in-plane electric fields and out-of-plane magnetic fields. In the former, the quantum confined Stark effect is observed with either linear or quadratic shifts, depending on the direction of the applied field. As for the latter, the usual Aharonov-Bohm oscillations are not observed for a circularly symmetric confining potential, however they can be reinstated if an elliptic ring with an appropriate aspect ratio is chosen.  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000401230600007 Publication Date 2017-05-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 19 Open Access  
  Notes ; This work was financially supported by CNPq under the PRONEX/FUNCAP grants, CAPES Foundation, the Flemish Science Foundation (FWO-Vl), and the Brazilian Program Science Without Borders (CsF). ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:143746 Serial 4610  
Permanent link to this record
 
 
Author (up) de Sousa, J.S.; Covaci, L.; Peeters, F.M.; Farias, G.A. doi  openurl
  Title Time-dependent investigation of charge injection in a quantum dot containing one electron Type A1 Journal article
  Year 2012 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 112 Issue 9 Pages 093705-93709  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The interaction of an injected electron towards a quantum dot (QD) containing a single confined electron is investigated using a flexible time-dependent quantum mechanics formalism, which allows both electrons to move and undergo quantum transitions. Different scenarios combining quantum dot dimensions, dielectric constant, injected wave packet energy, and width were explored, and our main results are: (i) due to the large characteristic transitions times between the confined state in the quantum dot and the delocalized state in the continuum, it is relatively difficult to ionize the occupied QD by Coulomb interaction solely and (ii) the charging state of the quantum dot can be sensed by direct injection of charges. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4759292]  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000311968400052 Publication Date 2012-11-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 1 Open Access  
  Notes ; This work was financially supported by the Brazilian National Research Council (CNPq), under Contract No. NanoBioEstruturas 555183/2005-0, Fundao Cearense de Apoio ao Desenvolvimento Cientfico e Tecnolgico (Funcap), CAPES, Pronex/CNPq/ Funcap, the Bilateral program between Flanders and Brazil, and the Flemish Science Foundation (FWO). ; Approved Most recent IF: 2.068; 2012 IF: 2.210  
  Call Number UA @ lucian @ c:irua:106014 Serial 3664  
Permanent link to this record
 
 
Author (up) Degani, M.H.; Farias, G.A.; Peeters, F.M. url  doi
openurl 
  Title Bound states and lifetime of an electron on a bulk helium surface Type A1 Journal article
  Year 2005 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 72 Issue 12 Pages 125408-125408,7  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We propose an effective potential for an excess electron near the helium liquid-vapor interface that takes into account the diffuseness of the liquid-vapor interface and the classical image potential. The splitting of the first two excited states of the excess electron bound to the helium liquid-vapor interface as a function of an external constant electric field applied perpendicular to the interface is in excellent agreement with recent experiments. The effect of a parallel magnetic field on the energy levels are calculated. Single-electron tunneling of the electron out of its surface state is studied as a function of the electric field applied to the system. We found that the tunneling time has a linear dependence on the electric field.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000232229400125 Publication Date 2005-09-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 11 Open Access  
  Notes Approved Most recent IF: 3.836; 2005 IF: 3.185  
  Call Number UA @ lucian @ c:irua:94719 Serial 251  
Permanent link to this record
 
 
Author (up) Dehdast, M.; Valiollahi, Z.; Neek-Amal, M.; Van Duppen, B.; Peeters, F.M.; Pourfath, M. pdf  doi
openurl 
  Title Tunable natural terahertz and mid-infrared hyperbolic plasmons in carbon phosphide Type A1 Journal article
  Year 2021 Publication Carbon Abbreviated Journal Carbon  
  Volume 178 Issue Pages 625-631  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Hyperbolic polaritons in ultra thin materials such as few layers of van derWaals heterostructures provide a unique control over light-matter interaction at the nanoscale and with various applications in flat optics. Natural hyperbolic surface plasmons have been observed on thin films of WTe2 in the light wavelength range of 16-23 mu m (similar or equal to 13-18 THz) [Nat. Commun. 11, 1158 (2020)]. Using time-dependent density functional theory, it is found that carbon doped monolayer phosphorene (beta-allotrope of carbon phosphide monolayer) exhibits natural hyperbolic plasmons at frequencies above similar or equal to 5 THz which is not observed in its parent materials, i.e. monolayer of black phosphorous and graphene. Furthermore, we found that by electrostatic doping the plasmonic frequency range can be extended to the mid-infrared. (C) 2021 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000648729800057 Publication Date 2021-03-26  
  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 6 Open Access Not_Open_Access  
  Notes Approved Most recent IF: 6.337  
  Call Number UA @ admin @ c:irua:179033 Serial 7039  
Permanent link to this record
 
 
Author (up) Dell'Anna, L.; Perali, A.; Covaci, L.; Neilson, D. url  doi
openurl 
  Title Using magnetic stripes to stabilize superfluidity in electron-hole double monolayer graphene Type A1 Journal article
  Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 92 Issue 92 Pages 220502  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Experiments have confirmed that double monolayer graphene does not generate finite-temperature electron-hole superfluidity, because of very strong screening of the pairing attraction. The linear dispersing energy bands in monolayer graphene block any attempt to reduce the strength of the screening. We propose a hybrid device with two sheets of monolayer graphene in a modulated periodic perpendicular magnetic field. The field preserves the isotropic Dirac cones of the original monolayers but reduces the slope of the cones, making the monolayer Fermi velocity v(F) smaller. We demonstrate that with current experimental techniques, the reduction in vF can weaken the screening sufficiently to allow electron-hole superfluidity at measurable temperatures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000366500100004 Publication Date 2015-12-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 7 Open Access  
  Notes ; We thank M. Zarenia for useful discussions. L.D. acknowledges financial support from MIUR: FIRB 2012, Grant No. RBFR12NLNA_002, and PRIN, Grant No. 2010LLKJBX. A.P. and D.N. acknowledge financial support from University of Camerino FAR project CESEMN. L.C. acknowledges financial support from Flemish Science Foundation (FWO). ; Approved Most recent IF: 3.836; 2015 IF: 3.736  
  Call Number c:irua:130211 Serial 4069  
Permanent link to this record
 
 
Author (up) Demirkol, Ö.; Sevik, C.; Demiroğlu, I. url  doi
openurl 
  Title First principles assessment of the phase stability and transition mechanisms of designated crystal structures of pristine and Janus transition metal dichalcogenides Type A1 Journal article
  Year 2022 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys  
  Volume 24 Issue 12 Pages 7430-7441  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Two-dimensional Transition Metal Dichalcogenides (TMDs) possessing extraordinary physical properties at reduced dimensionality have attracted interest due to their promise in electronic and optical device applications. However, TMD monolayers can show a broad range of different properties depending on their crystal phase; for example, H phases are usually semiconductors, while the T phases are metallic. Thus, controlling phase transitions has become critical for device applications. In this study, the energetically low-lying crystal structures of pristine and Janus TMDs are investigated by using ab initio Nudged Elastic Band and molecular dynamics simulations to provide a general explanation for their phase stability and transition properties. Across all materials investigated, the T phase is found to be the least stable and the H phase is the most stable except for WTe2, while the T' and T '' phases change places according to the TMD material. The transition energy barriers are found to be large enough to hint that even the higher energy phases are unlikely to undergo a phase transition to a more stable phase if they can be achieved except for the least stable T phase, which has zero barrier towards the T ' phase. Indeed, in molecular dynamics simulations the thermodynamically least stable T phase transformed into the T ' phase spontaneously while in general no other phase transition was observed up to 2100 K for the other three phases. Thus, the examined T ', T '' and H phases were shown to be mostly stable and do not readily transform into another phase. Furthermore, so-called mixed phase calculations considered in our study explain the experimentally observed lateral hybrid structures and point out that the coexistence of different phases is strongly stable against phase transitions. Indeed, stable complex structures such as metal-semiconductor-metal architectures, which have immense potential to be used in future device applications, are also possible based on our investigation.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000766791000001 Publication Date 2022-02-23  
  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 Open Access OpenAccess  
  Notes Approved Most recent IF: 3.3  
  Call Number UA @ admin @ c:irua:187184 Serial 7164  
Permanent link to this record
 
 
Author (up) Demiroglu, I.; Karaaslan, Y.; Kocabas, T.; Keceli, M.; Vazquez-Mayagoitia, A.; Sevik, C. pdf  url
doi  openurl
  Title Computation of the thermal expansion coefficient of graphene with Gaussian approximation potentials Type A1 Journal article
  Year 2021 Publication Journal Of Physical Chemistry C Abbreviated Journal J Phys Chem C  
  Volume 125 Issue 26 Pages 14409-14415  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Direct experimental measurement of thermal expansion coefficient without substrate effects is a challenging task for two-dimensional (2D) materials, and its accurate estimation with large-scale ab initio molecular dynamics is computationally very expensive. Machine learning-based interatomic potentials trained with ab initio data have been successfully used in molecular dynamics simulations to decrease the computational cost without compromising the accuracy. In this study, we investigated using Gaussian approximation potentials to reproduce the density functional theory-level accuracy for graphene within both lattice dynamical and molecular dynamical methods, and to extend their applicability to larger length and time scales. Two such potentials are considered, GAP17 and GAP20. GAP17, which was trained with pristine graphene structures, is found to give closer results to density functional theory calculations at different scales. Further vibrational and structural analyses verify that the same conclusions can be deduced with density functional theory level in terms of the reasoning of the thermal expansion behavior, and the negative thermal expansion behavior is associated with long-range out-of-plane phonon vibrations. Thus, it is argued that the enabled larger system sizes by machine learning potentials may even enhance the accuracy compared to small-size-limited ab initio molecular dynamics.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000672734100027 Publication Date 2021-06-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-7447; 1932-7455 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.536 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 4.536  
  Call Number UA @ admin @ c:irua:179850 Serial 7719  
Permanent link to this record
 
 
Author (up) Demiroglu, I.; Peeters, F.M.; Gulseren, O.; Cakir, D.; Sevik, C. doi  openurl
  Title Alkali metal intercalation in MXene/graphene heterostructures : a new platform for ion battery applications Type A1 Journal article
  Year 2019 Publication The journal of physical chemistry letters Abbreviated Journal J Phys Chem Lett  
  Volume 10 Issue 4 Pages 727-734  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract The adsorption and diffusion of Na, K, and Ca atoms on MXene/graphene heterostructures of MXene systems Sc2C(OH)(2), Ti2CO2, and V2CO2 are systematically investigated by using first-principles methods. We found that alkali metal intercalation is energetically favorable and thermally stable for Ti2CO2/graphene and V2CO2/graphene heterostructures but not for Sc2C(OH)(2). Diffusion kinetics calculations showed the advantage of MXene/graphene heterostructures over sole MXene systems as the energy barriers are halved for the considered alkali metals. Low energy barriers are found for Na and K ions, which are promising for fast charge/discharge rates. Calculated voltage profiles reveal that estimated high capacities can be fully achieved for Na ion in V2CO2/graphene and Ti2CO2/graphene heterostructures. Our results indicate that Ti2CO2/graphene and V2CO2/graphene electrode materials are very promising for Na ion battery applications. The former could be exploited for low voltage applications while the latter will be more appropriate for higher voltages.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000459948800005 Publication Date 2019-01-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1948-7185 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.353 Times cited 67 Open Access  
  Notes ; We acknowledge the support from the TUBITAK (116F080) and the BAGEP Award of the Science Academy. Part of this work was supported by the FLAG -ERA project TRANS-2D-TMD. A part of this work was supported by University of North Dakota Early Career Award (Grant number: 20622-4000-02624). We also acknowledge financial support from ND EPSCoR through NSF grant OIA-1355466. Computational resources were provided by the High Performance and Grid Computing Center (TRGrid e-Infrastructure) of TUBITAK ULAKBIM, the National Center for High Performance Computing (UHeM) of Istanbul Technical University, and Computational Research Center (HPC Linux cluster) at the University of North Dakota. This work was performed, in part, at the Center for Nanoscale Materials, a U.S. Department of Energy Office of Science User Facility, and supported by the U.S. Department of Energy, Office of Science, under contract no. DE-AC02-06CH11357. ; Approved Most recent IF: 9.353  
  Call Number UA @ admin @ c:irua:158618 Serial 5194  
Permanent link to this record
 
 
Author (up) Demiroglu, I.; Sevik, C. url  doi
openurl 
  Title Extraordinary negative thermal expansion of two-dimensional nitrides : a comparative ab initio study of quasiharmonic approximation and molecular dynamics simulations Type A1 Journal article
  Year 2021 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 103 Issue 8 Pages 085430  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Thermal expansion behavior of two-dimensional (2D) nitrides and graphene were studied by ab initio molecular dynamics (MD) simulations as well as quasiharmonic approximation (QHA). Anharmonicity of the acoustic phonon modes are related to the unusual negative thermal expansion (NTE) behavior of the nitrides. Our results also hint that direct ab initio MD simulations are a more elaborate method to investigate thermal expansion behavior of 2D materials than the QHA. Nevertheless, giant NTE coefficients are found for h-GaN and h-AlN within the covered temperature range 100-600 K regardless of the chosen computational method. This unusual NTE of 2D nitrides is reasoned with the out-of-plane oscillations related to the rippling behavior of the monolayers.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000620346100007 Publication Date 2021-02-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 3.836  
  Call Number UA @ admin @ c:irua:176671 Serial 7956  
Permanent link to this record
 
 
Author (up) Demirtas, M.; Odaci, C.; Perkgoz, N.K.; Sevik, C.; Ay, F. doi  openurl
  Title Low Loss Atomic Layer Deposited Al2O3 Waveguides for Applications in On-Chip Optical Amplifiers Type A1 Journal article
  Year 2018 Publication IEEE journal of selected topics in quantum electronics Abbreviated Journal  
  Volume 24 Issue 4 Pages 3100508  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We present the growth and optimization of ultralow loss Si-based Al2O3 planar waveguides, which have a high potential to boost the performance of rare-earth ion doped waveguide devices operating at visible and C-band wavelength ranges. The planar waveguide structures are grown using thermal atomic layer deposition. Systematic characterization of the obtained thin films is performed by spectroscopic ellipsometry, X-ray diffraction, Fourier transform infrared spectroscopy, and X-ray photoelectron spectroscopy analyses, and the optimum parameters are identified. The optical loss measurements for both transverse electric (TE) and transverse magnetic polarized light at 633, 829, and 1549 nm are performed. The lowest propagation loss value of 0.04 +/- 0.02 dB/cm for the Al2O3 waveguides for TE polarization at 1549 nm is demonstrated.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000431396300001 Publication Date 2018-04-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1077-260x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:193780 Serial 8187  
Permanent link to this record
 
 
Author (up) Deo, P.S.; Gupta, B.C.; Jayannavar, A.M.; Peeters, F.M. doi  openurl
  Title Conductance quantization in a periodically modulated quantum channel: backscattering and mode mixing Type A1 Journal article
  Year 1998 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 58 Issue Pages 10784-10788  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000076716500104 Publication Date 2002-07-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 12 Open Access  
  Notes Approved Most recent IF: 3.836; 1998 IF: NA  
  Call Number UA @ lucian @ c:irua:24162 Serial 480  
Permanent link to this record
 
 
Author (up) Deo, P.S.; Peeters, F.M.; Schweigert, V.A. doi  openurl
  Title Mesoscopic superconducting disks Type A1 Journal article
  Year 1999 Publication Superlattices and microstructures Abbreviated Journal Superlattice Microst  
  Volume 25 Issue Pages 1195-1211  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000082323800050 Publication Date 2002-09-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0749-6036; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.123 Times cited 22 Open Access  
  Notes Approved Most recent IF: 2.123; 1999 IF: 0.649  
  Call Number UA @ lucian @ c:irua:26991 Serial 2001  
Permanent link to this record
 
 
Author (up) Deo, P.S.; Schweigert, V.A.; Peeters, F.M. doi  openurl
  Title Hysteresis in mesoscopic superconducting disks: the Bean-Livingston barrier Type A1 Journal article
  Year 1999 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 59 Issue Pages 6039-6042  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000079254300016 Publication Date 2002-07-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 59 Open Access  
  Notes Approved Most recent IF: 3.836; 1999 IF: NA  
  Call Number UA @ lucian @ c:irua:24156 Serial 1545  
Permanent link to this record
 
 
Author (up) Deo, P.S.; Schweigert, V.A.; Peeters, F.M.; Geim, A.K. url  doi
openurl 
  Title Magnetization of mesoscopic superconducting discs Type A1 Journal article
  Year 1997 Publication Physical review letters Abbreviated Journal Phys Rev Lett  
  Volume 79 Issue Pages 4653-4656  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos A1997YK36500035 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 165 Open Access  
  Notes Approved Most recent IF: 8.462; 1997 IF: 6.140  
  Call Number UA @ lucian @ c:irua:19275 Serial 1896  
Permanent link to this record
 
 
Author (up) Deo, P.S.; Schweigert, V.A.; Peeters, F.M.; Geim, A.K. doi  openurl
  Title Type of phase transitions in a mesoscopic superconducting disc Type A1 Journal article
  Year 1997 Publication Physica: E Abbreviated Journal Physica E  
  Volume 1 Issue Pages 297-300  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000074364500064 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1386-9477; ISBN Additional Links UA library record; WoS full record;  
  Impact Factor 2.221 Times cited Open Access  
  Notes Approved Most recent IF: 2.221; 1997 IF: NA  
  Call Number UA @ lucian @ c:irua:19299 Serial 3791  
Permanent link to this record
 
 
Author (up) Devolder, T.; Bultynck, O.; Bouquin, P.; Nguyen, V.D.; Rao, S.; Wan, D.; Sorée, B.; Radu, I.P.; Kar, G.S.; Couet, S. url  doi
openurl 
  Title Back hopping in spin transfer torque switching of perpendicularly magnetized tunnel junctions Type A1 Journal article
  Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 102 Issue 18 Pages 184406  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We analyze the phenomenon of back hopping in spin-torque induced switching of the magnetization in perpendicularly magnetized tunnel junctions. The analysis is based on single-shot time-resolved conductance measurements of the pulse-induced back hopping. Studying several material variants reveals that the back hopping is a feature of the nominally fixed system of the tunnel junction. The back hopping is found to proceed by two sequential switching events that lead to a final state P' of conductance close to-but distinct from-that of the conventional parallel state. The P' state does not exist at remanence. It generally relaxes to the conventional antiparallel state if the current is removed. The P' state involves a switching of the sole spin-polarizing part of the fixed layers. The analysis of literature indicates that back hopping occurs only when the spin-polarizing layer is too weakly coupled to the rest of the fixed system, which justifies a posteriori the mitigation strategies of back hopping that were implemented empirically in spin-transfer-torque magnetic random access memories.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000587594900005 Publication Date 2020-11-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.7 Times cited Open Access  
  Notes ; This work was supported in part by the IMEC's Industrial Affiliation Program on STT-MRAM device, and in part by the imec IIAP core CMOS and the Beyond CMOS program of Intel Corporation. T. D. and P. B. thank Jonathan Z. Sun for constructive discussions on the BH phenomenon. ; Approved Most recent IF: 3.7; 2020 IF: 3.836  
  Call Number UA @ admin @ c:irua:173524 Serial 6458  
Permanent link to this record
 
 
Author (up) Devreese, J.T.; Shi, J.M.; Peeters, F.M. openurl 
  Title Magneto-polaron effect on shallow donors in 3D en Q2S systems Type H3 Book chapter
  Year 1993 Publication Abbreviated Journal  
  Volume Issue Pages 173-184  
  Keywords H3 Book chapter; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Kluwer Place of Publication Dordrecht 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:20360 Serial 1908  
Permanent link to this record
 
 
Author (up) Devreese, J.T.; Verbist, G.; Peeters, F.M. pdf  openurl
  Title Large bipolarons and high-Tc materials Type H3 Book chapter
  Year 1995 Publication Abbreviated Journal  
  Volume Issue Pages 385-391  
  Keywords H3 Book chapter; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Cambridge University Press Place of Publication Cambridge 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:11700 Serial 1778  
Permanent link to this record
 
 
Author (up) Deylgat, E.; Chen, E.; Fischetti, M.V.; Sorée, B.; Vandenberghe, W.G. pdf  doi
openurl 
  Title Image-force barrier lowering in top- and side-contacted two-dimensional materials Type A1 Journal article
  Year 2022 Publication Solid state electronics Abbreviated Journal Solid State Electron  
  Volume 198 Issue Pages 108458-4  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We compare the image-force barrier lowering (IFBL) and calculate the resulting contact resistance for four different metal-dielectric-two-dimensional (2D) material configurations. We analyze edge contacts in three different geometries (a homogeneous dielectric throughout, including the 2D layer; a homogeneous dielectric surrounding the 2D layer, both ungated and back gated) and also a top-contact assuming a homogeneous dielectric. The image potential energy of each configuration is determined and added to the Schottky energy barrier which is calculated assuming a textbook Schottky potential. For each configuration, the contact resistivity is calculated using the WKB approximation and the effective mass approximation using either SiO2 or HfO2 as the surrounding dielectric. We obtain the lowest contact resistance of 1 k Omega mu m by n-type doping an edge contacted transition metal-dichalcogenide (TMD) monolayer, sandwiched between SiO2 dielectric, with similar to 1012 cm-2 donor atoms. When this optimal configuration is used, the contact resistance is lowered by a factor of 50 compared to the situation when the IFBL is not considered.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000876289800003 Publication Date 2022-09-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0038-1101 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 1.7 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 1.7  
  Call Number UA @ admin @ c:irua:191556 Serial 7312  
Permanent link to this record
 
 
Author (up) Deylgat, E.; Chen, E.; Sorée, B.; Vandenberghe, W.G. pdf  doi
openurl 
  Title Quantum transport study of contact resistance of edge- and top-contacted two-dimensional materials Type P1 Proceeding
  Year 2023 Publication International Conference on Simulation of Semiconductor Processes and Devices : [proceedings] T2 – International Conference on Simulation of Semiconductor Processes and, Devices (SISPAD), SEP 27-29, 2023, Kobe, Japan Abbreviated Journal  
  Volume Issue Pages 45-48  
  Keywords P1 Proceeding; Condensed Matter Theory (CMT)  
  Abstract We calculate the contact resistance for an edge- and top-contacted 2D semiconductor. The contact region consists of a metal contacting a monolayer of MoS2 which is otherwise surrounded by SiO2. We use the quantum transmitting boundary method to compute the contact resistance as a function of the 2D semiconductor doping concentration. An effective mass Hamiltonian is used to describe the properties of the various materials. The electrostatic potentials are obtained by solving the Poisson equation numerically. We incorporate the effects of the image-force barrier lowering on the Schottky barrier and examine the impact on the contact resistance. At low doping concentrations, the contact resistance of the top contact is lower compared to edge contact, while at high doping concentrations, the edge contact exhibits lower resistance.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001117703800012 Publication Date 2023-11-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 978-4-86348-803-8 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:202839 Serial 9079  
Permanent link to this record
 
 
Author (up) Dharma-Wardana, M.W.C.; Neilson, D.; Peeters, F.M. url  doi
openurl 
  Title Correlation functions in electron-electron and electron-hole double quantum wells : temperature, density, and barrier-width dependence Type A1 Journal article
  Year 2019 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 99 Issue 3 Pages 035303  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The classical-map hypernetted-chain (CHNC) scheme, developed for treating fermion fluids at strong coupling and at finite temperatures, is applied to electron-electron and electron-hole double quantum wells. The pair-distribution functions and the local field factors needed in linear-response theory are determined for a range of temperatures, carrier densities, and barrier widths typical for experimental double-quantum-well systems in GaAs-GaAlAs. For electron-hole double quantum wells, a large enhancement in the pair-distribution functions is found for small carrier separations. The CHNC equations for electron-hole systems no longer hold at low densities where bound-state formation occurs.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000455163800004 Publication Date 2019-01-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 6 Open Access  
  Notes ; This work was partially supported by the Flemish Science Foundation (FWO-Vl). M.W.C.D.-W. acknowledges with thanks the hospitality and stimulating atmosphere of the Condensed Matter Theory group at the University of Antwerp. ; Approved Most recent IF: 3.836  
  Call Number UA @ admin @ c:irua:156734 Serial 5201  
Permanent link to this record
 
 
Author (up) Dhong, H.M.; Zhang, J.; Peeters, F.M.; Xu, W. doi  openurl
  Title Optical conductance and transmission in bilayer graphene Type A1 Journal article
  Year 2009 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 106 Issue 4 Pages 043103,1-043103,6  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We present a theoretical study of the optoelectronic properties of bilayer graphene. The optical conductance and transmission coefficient are calculated using the energy-balance equation derived from a Boltzmann equation for an air/graphene/dielectric-wafer system. For short wavelengths (<0.2 µm), we obtain the universal optical conductance =e2/(2). Interestingly, there exists an optical absorption window in the wavelength range 10100 µm, which is induced by different transition energies required for inter- and intra-band optical absorptions in the presence of the MossBurstein effect. As a result, the position and width of this absorption window depend sensitively on temperature, carrier density, and sample mobility of the system. These results are relevant for applications of recently developed graphene devices in advanced optoelectronics such as the infrared photodetectors.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000270083800004 Publication Date 2009-08-20  
  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 11 Open Access  
  Notes Approved Most recent IF: 2.068; 2009 IF: 2.072  
  Call Number UA @ lucian @ c:irua:79315 Serial 2472  
Permanent link to this record
 
 
Author (up) Ding, F.; Akopian, N.; Li, B.; Perinetti, U.; Govorov, A.; Peeters, F.M.; Bufon, C.C.; Deneke, C.; Chen, Y.H.; Rastelli, A.; Schmidt, O.G.; Zwiller, V. url  doi
openurl 
  Title Gate controlled Aharonov-Bohm-type oscillations from single neutral excitons in quantum rings Type A1 Journal article
  Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 82 Issue 7 Pages 8  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000280813100005 Publication Date 2010-08-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 58 Open Access  
  Notes ; We acknowledge L. P. Kouwenhoven and Z. G. Wang for support, L. Wang, V. Fomin, S. Kiravittaya, M. Tadic, Wen-Hao Chang, I. Sellers, A. Avetisyan, and C. Pryor for fruitful discussions and the financial support of NWO (VIDI), the CAS-MPG program, the DFG (FOR730), BMBF (Grant No. 01BM459), NSFC (Grant No. 60625402), and Flemish Science Foundation (FWO-V1). Access to the TEM of B. Rellinghaus is acknowledged. ; Approved Most recent IF: 3.836; 2010 IF: 3.774  
  Call Number UA @ lucian @ c:irua:83992 Serial 1321  
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Author (up) Ding, F.; Li, B.; Akopian, N.; Perinetti, U.; Chen, Y.H.; Peeters, F.M.; Rastelli, A.; Zwiller, V.; Schmidt, O.G. doi  openurl
  Title Single neutral excitons confined in AsBr3 in situ etched InGaAs quantum rings Type A1 Journal article
  Year 2011 Publication Journal of nanoelectronics and optoelectronics Abbreviated Journal J Nanoelectron Optoe  
  Volume 6 Issue 1 Pages 51-57  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract We observe the evolution of single self-assembled semiconductor quantum dots into quantum rings during AsBr3 in situ etching. The direct three-dimensional imaging of In(Ga)As nanostructures embedded in GaAs matrix is demonstrated by selective wet chemical etching combined with atomic force microscopy. Single neutral excitons confined in these quantum rings are studied by magneto-photoluminescence. Oscillations in the exciton radiative recombination energy and in the emission intensity are observed under an applied magnetic field. Further, we demonstrate that the period of the oscillations can be tuned by a gate potential that modifies the exciton confinement. The experimental results, combined with calculations, indicate that the exciton Aharonov-Bohm effect may account for the observed effects.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000290692200005 Publication Date 2011-04-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1555-130X;1555-1318; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 0.497 Times cited 3 Open Access  
  Notes ; We acknowledge L. P. Kouwenhoven and Z. G. Wang for support, C. C. Bof Bufon, C. Deneke, V. Fomin, A. Govorov, S. Kiravittaya, and Wen-Hao Chang for their help and discussions. We are grateful for the financial support of NWO (VIDI), the CAS-MPG programm, the DFG (FOR730), BMBF (No. 01BM459), NSFC China (60625402), and Flemish Science Foundation (FWO-V1). ; Approved Most recent IF: 0.497; 2011 IF: 0.556  
  Call Number UA @ lucian @ c:irua:90187 Serial 3025  
Permanent link to this record
 
 
Author (up) Dixit, H. openurl 
  Title First-principles electronic structure calculations of transparent conducting oxide materials Type Doctoral thesis
  Year 2012 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Doctoral thesis; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Antwerpen Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:99490 Serial 1209  
Permanent link to this record
 
 
Author (up) Dixit, H.; Lamoen, D.; Partoens, B. pdf  doi
openurl 
  Title Quasiparticle band structure of rocksalt-CdO determined using maximally localized Wannier functions Type A1 Journal article
  Year 2013 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 25 Issue 3 Pages 035501-35505  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract CdO in the rocksalt structure is an indirect band gap semiconductor. Thus, in order to determine its band gap one needs to calculate the complete band structure. However, in practice, the exact evaluation of the quasiparticle band structure for the large number of k-points which constitute the different symmetry lines in the Brillouin zone can be an extremely demanding task compared to the standard density functional theory (DFT) calculation. In this paper we report the full quasiparticle band structure of CdO using a plane-wave pseudopotential approach. In order to reduce the computational effort and time, we make use of maximally localized Wannier functions (MLWFs). The MLWFs offer a highly accurate method for interpolation of the DFT or GW band structure from a coarse k-point mesh in the irreducible Brillouin zone, resulting in a much reduced computational effort. The present paper discusses the technical details of the scheme along with the results obtained for the quasiparticle band gap and the electron effective mass.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000313100500010 Publication Date 2012-12-12  
  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 2.649 Times cited 7 Open Access  
  Notes Fwo Approved Most recent IF: 2.649; 2013 IF: 2.223  
  Call Number UA @ lucian @ c:irua:105296 Serial 2801  
Permanent link to this record
 
 
Author (up) Dixit, H.; Saniz, R.; Cottenier, S.; Lamoen, D.; Partoens, B. pdf  doi
openurl 
  Title Electronic structure of transparent oxides with the Tran-Blaha modified Becke-Johnson potential Type A1 Journal article
  Year 2012 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 24 Issue 20 Pages 205503-205503,9  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract We present electronic band structures of transparent oxides calculated using the Tran-Blaha modified Becke-Johnson (TB-mBJ) potential. We studied the basic n-type conducting binary oxides In2O3, ZnO, CdO and SnO2 along with the p-type conducting ternary oxides delafossite CuXO2 (X = Al, Ga, In) and spinel ZnX2O4 (X = Co, Rh, Ir). The results are presented for calculated band gaps and effective electron masses. We discuss the improvements in the band gap determination using TB-mBJ compared to the standard generalized gradient approximation (GGA) in density functional theory (DFT) and also compare the electronic band structure with available results from the quasiparticle GW method. It is shown that the calculated band gaps compare well with the experimental and GW results, although the electron effective mass is generally overestimated.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000303507100009 Publication Date 2012-04-27  
  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 2.649 Times cited 113 Open Access  
  Notes Iwt; Fwo Approved Most recent IF: 2.649; 2012 IF: 2.355  
  Call Number UA @ lucian @ c:irua:98222 Serial 1017  
Permanent link to this record
 
 
Author (up) Dixit, H.; Saniz, R.; Lamoen, D.; Partoens, B. doi  openurl
  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 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  
Permanent link to this record
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