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Author Mlinar, V.; Peeters, F.M. doi  openurl
  Title A three-dimensional model for artificial atoms and molecules: influence of substrate orientation and magnetic field dependence Type A1 Journal article
  Year 2007 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem  
  Volume 17 Issue 35 Pages 3687-3695  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000249080100013 Publication Date 2007-07-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 7 Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:66124 Serial 3653  
Permanent link to this record
 

 
Author Wang, M.; Chang, K.; Wang, L.G.; Dai, N.; Peeters, F.M. doi  openurl
  Title Crystallographic plane tuning of charge and spin transport in semiconductor quantum wires Type A1 Journal article
  Year 2009 Publication Nanotechnology Abbreviated Journal Nanotechnology  
  Volume 20 Issue 36 Pages 365202,1-365202,8  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We investigate theoretically the charge and spin transport in quantum wires grown along different crystallographic planes in the presence of the Rashba spinorbit interaction (RSOI) and the Dresselhaus spinorbit interaction (DSOI). We find that changing the crystallographic planes leads to a variation of the anisotropy of the conductance due to a different interplay between the RSOI and DSOI, since the DSOI is induced by bulk inversion asymmetry, which is determined by crystallographic plane. This interplay depends sensitively on the crystallographic planes, and consequently leads to the anisotropic charge and spin transport in quantum wires embedded in different crystallographic planes.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000269077000003 Publication Date 2009-08-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0957-4484;1361-6528; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.44 Times cited 14 Open Access  
  Notes Approved Most recent IF: 3.44; 2009 IF: 3.137  
  Call Number UA @ lucian @ c:irua:78933 Serial 588  
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Author Milošević, M.M.; Tadić, M.; Peeters, F.M. pdf  doi
openurl 
  Title Effects of lateral asymmetry on electronic structure of strained semiconductor nanorings in a magnetic field Type A1 Journal article
  Year 2008 Publication Nanotechnology Abbreviated Journal Nanotechnology  
  Volume 19 Issue 45 Pages  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The influence of lateral asymmetry on the electronic structure and optical transitions in elliptical strained InAs nanorings is analyzed in the presence of a perpendicular magnetic field. Two-dimensional rings are assumed to have elliptical inner and outer boundaries oriented in mutually orthogonal directions. The influence of the eccentricity of the ring on the energy levels is analyzed. For large eccentricity of the ring, we do not find any AharonovBohm effect, in contrast to circular rings. Rather, the single-particle states of the electrons and the holes are localized as in two laterally coupled quantum dots formed in the lobes of the nanoring. Our work indicates that the control of shape is important for the existence of the AharonovBohm effect in semiconductor nanorings.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000259922000016 Publication Date 2008-10-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0957-4484;1361-6528; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.44 Times cited 11 Open Access  
  Notes Approved Most recent IF: 3.44; 2008 IF: 3.446  
  Call Number UA @ lucian @ c:irua:76874 Serial 865  
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Author Wu, Z.; Zhang, Z.Z.; Chang, K.; Peeters, F.M. doi  openurl
  Title Quantum tunneling through graphene nanorings Type A1 Journal article
  Year 2010 Publication Nanotechnology Abbreviated Journal Nanotechnology  
  Volume 21 Issue 18 Pages 185201  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We investigate theoretically quantum transport through graphene nanorings in the presence of a perpendicular magnetic field. Our theoretical results demonstrate that the graphene nanorings behave like a resonant tunneling device, contrary to the Aharonov-Bohm oscillations found in conventional semiconductor rings. The resonant tunneling can be tuned by the Fermi energy, the size of the central part of the graphene nanorings and the external magnetic field.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000276672100005 Publication Date 2010-04-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0957-4484;1361-6528; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.44 Times cited 34 Open Access  
  Notes ; This work is partly supported by the NSFC, the project from the Chinese Academy of Sciences, the bilateral project between China and Sweden, the Flemish Science Foundation (FWLO-Vl) and the Belgium Science Policy (IAP). ; Approved Most recent IF: 3.44; 2010 IF: 3.652  
  Call Number UA @ lucian @ c:irua:95614 Serial 2796  
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Author Zhang, Z.Z.; Wu, Z.H.; Chang, K.; Peeters, F.M. doi  openurl
  Title Resonant tunneling through S- and U-shaped graphene nanoribbons Type A1 Journal article
  Year 2009 Publication Nanotechnology Abbreviated Journal Nanotechnology  
  Volume 20 Issue 41 Pages 415203,1-415203,7  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We theoretically investigate resonant tunneling through S- and U-shaped nanostructured graphene nanoribbons. A rich structure of resonant tunneling peaks is found emanating from different quasi-bound states in the middle region. The tunneling current can be turned on and off by varying the Fermi energy. Tunability of resonant tunneling is realized by changing the width of the left and/or right leads and without the use of any external gates.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000269930100007 Publication Date 2009-09-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0957-4484;1361-6528; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.44 Times cited 32 Open Access  
  Notes Approved Most recent IF: 3.44; 2009 IF: 3.137  
  Call Number UA @ lucian @ c:irua:79311 Serial 2893  
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Author Badalyan, S.M.; Peeters, F.M. doi  openurl
  Title Transport of magnetic edge states in a quantum wire exposed to a non-homogeneous magnetic field Type A1 Journal article
  Year 2001 Publication Nanotechnology Abbreviated Journal Nanotechnology  
  Volume 12 Issue Pages 570-576  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000173305300041 Publication Date 2002-08-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0957-4484;1361-6528; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.44 Times cited 5 Open Access  
  Notes Approved Most recent IF: 3.44; 2001 IF: 1.621  
  Call Number UA @ lucian @ c:irua:37276 Serial 3727  
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Author Scuracchio, P.; Dobry, A.; Costamagna, S.; Peeters, F.M. pdf  doi
openurl 
  Title Tuning the polarized quantum phonon transmission in graphene nanoribbons Type A1 Journal article
  Year 2015 Publication Nanotechnology Abbreviated Journal Nanotechnology  
  Volume 26 Issue 26 Pages 305401  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract We propose systems that allow a tuning of the phonon transmission function T(omega) in graphene nanoribbons by using C-13 isotope barriers, antidot structures, and distinct boundary conditions. Phonon modes are obtained by an interatomic fifth-nearest neighbor force-constant model (5NNFCM) and T(omega) is calculated using the non-equilibrium Green's function formalism. We show that by imposing partial fixed boundary conditions it is possible to restrict contributions of the in-plane phonon modes to T(omega) at low energy. On the contrary, the transmission functions of out-of-plane phonon modes can be diminished by proper antidot or isotope arrangements. In particular, we show that a periodic array of them leads to sharp dips in the transmission function at certain frequencies omega(nu) which can be pre-defined as desired by controlling their relative distance and size. With this, we demonstrated that by adequate engineering it is possible to govern the magnitude of the ballistic transmission functions T(omega) in graphene nanoribbons. We discuss the implications of these results in the design of controlled thermal transport at the nanoscale as well as in the enhancement of thermo-electric features of graphene-based materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000358675900010 Publication Date 2015-07-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0957-4484;1361-6528; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.44 Times cited 5 Open Access  
  Notes ; Discussions with C E Repetto, C R Stia and K H Michel are gratefully acknowledged. This work was partially supported by the Flemish Science Foundation (FWO-Vl) and PIP 11220090100392 of CONICET (Argentina). We acknowledge funding from the FWO (Belgium)-MINCyT (Argentina) collaborative research project. ; Approved Most recent IF: 3.44; 2015 IF: 3.821  
  Call Number c:irua:127186 Serial 3759  
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Author Milovanovic, S.P.; Peeters, F.M. pdf  url
doi  openurl
  Title Characterization of the size and position of electron-hole puddles at a graphene p-n junction Type A1 Journal article
  Year 2016 Publication Nanotechnology Abbreviated Journal Nanotechnology  
  Volume 27 Issue 27 Pages 105203  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract The effect of an electron-hole puddle on the electrical transport when governed by snake states in a bipolar graphene structure is investigated. Using numerical simulations we show that information on the size and position of the electron-hole puddle can be obtained using the dependence of the conductance on magnetic field and electron density of the gated region. The presence of the scatterer disrupts snake state transport which alters the conduction pattern. We obtain a simple analytical formula that connects the position of the electron-hole puddle with features observed in the conductance. The size of the electron-hole puddle is estimated from the magnetic field and gate potential that maximizes the effect of the puddle on the electrical transport.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language English Wos 000369849200003 Publication Date 2016-02-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0957-4484 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.44 Times cited 3 Open Access  
  Notes This work was supported by the Flemish Science Foundation (FWO-Vl) and the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN. We acknowledge interesting correspondence with Thiti Taychatanapat. Approved Most recent IF: 3.44  
  Call Number c:irua:131907 Serial 4025  
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Author Cai, H.; Kang, J.; Sahin, H.; Chen, B.; Suslu, A.; Wu, K.; Peeters, F.; Meng, X.; Tongay, S. pdf  doi
openurl 
  Title Exciton pumping across type-I gallium chalcogenide heterojunctions Type A1 Journal article
  Year 2016 Publication Nanotechnology Abbreviated Journal Nanotechnology  
  Volume 27 Issue 27 Pages 065203  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Quasi-two-dimensional gallium chalcogenide heterostructures are created by transferring exfoliated few-layer GaSe onto bulk GaTe sheets. Luminescence spectroscopy measurements reveal that the light emission from underlying GaTe layers drastically increases on heterojunction regions where GaSe layers make contact with the GaTe. Density functional theory (DFT) and band offset calculations show that conduction band minimum (CBM) (valance band maximum (VBM)) values of GaSe are higher (lower) in energy compared to GaTe, forming type-I band alignment at the interface. Consequently, GaSe layers provide photo-excited electrons and holes to GaTe sheets through relatively large built-in potential at the interface, increasing overall exciton population and light emission from GaTe. Observed results are not specific to the GaSe/GaTe system but observed on GaS/GaSe heterolayers with type-I band alignment. Observed experimental findings and theoretical studies provide unique insights into interface effects across dissimilar gallium chalcogenides and offer new ways to boost optical performance by simple epitaxial coating.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000368897100008 Publication Date 2016-01-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0957-4484 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.44 Times cited 15 Open Access  
  Notes ; This work was supported by the Arizona State University seeding program, the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. HS is supported by a FWO Pegasus Long Marie Curie Fellowship. JK is supported by a FWO Pegasus-short Marie Curie Fellowship. We acknowledge the use of the John M Cowley Center for High Resolution Electron Microscopy at Arizona State University. The authors thank Anupum Pant for useful discussions. We gratefully acknowledge the use of the facilities at the LeRoy Eyring Center for Solid State Science at Arizona State University. S Tongay acknowledges support from DMR-1552220. ; Approved Most recent IF: 3.44  
  Call Number UA @ lucian @ c:irua:131570 Serial 4179  
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Author Kiymaz, D.; Yagmurcukardes, M.; Tomak, A.; Sahin, H.; Senger, R.T.; Peeters, F.M.; Zareie, H.M.; Zafer, C. doi  openurl
  Title Controlled growth mechanism of poly (3-hexylthiophene) nanowires Type A1 Journal article
  Year 2016 Publication Nanotechnology Abbreviated Journal Nanotechnology  
  Volume 27 Issue 27 Pages 455604  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Synthesis of 1D-polymer nanowires by a self-assembly method using marginal solvents is an attractive technique. While the formation mechanism is poorly understood, this method is essential in order to control the growth of nanowires. Here we visualized the time-dependent assembly of poly (3-hexyl-thiophene-2,5-diyl) (P3HT) nanowires by atomic force microscopy and scanning tunneling microscopy. The assembly of P3HT nanowires was carried out at room temperature by mixing cyclohexanone (CHN), as a poor solvent, with polymer solution in 1,2-dichlorobenzene (DCB). Both pi-pi stacking and planarization, obtained at the mix volume ratio of P3HT (in DCB):CHN (10:7), were considered during the investigation. We find that the length of nanowires was determined by the ordering of polymers in the polymer repetition direction. Additionally, our density functional theory calculations revealed that the presence of DCB and CHN molecules that stabilize the structural distortions due to tail group of polymers was essential for the core-wire formation.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000386132600003 Publication Date 2016-10-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0957-4484 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.44 Times cited 24 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, the High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules Foundation. HS is supported by a FWO Pegasus-Long Marie Curie Fellowship. HS and RTS acknowledge support from TUBITAK through Project No. 114F397. Also, DA is supported by the Scientific Research Project Fund of Ege University (Project Nr: 12GEE011). ; Approved Most recent IF: 3.44  
  Call Number UA @ lucian @ c:irua:138159 Serial 4350  
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Author Tomak, A.; Bacaksiz, C.; Mendirek, G.; Sahin, H.; Hur, D.; Gorgun, K.; Senger, R.T.; Birer, O.; Peeters, F.M.; Zareie, H.M. pdf  doi
openurl 
  Title Structural changes in a Schiff base molecular assembly initiated by scanning tunneling microscopy tip Type A1 Journal article
  Year 2016 Publication Nanotechnology Abbreviated Journal Nanotechnology  
  Volume 27 Issue 27 Pages 335601  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract We report the controlled self-organization and switching of newly designed Schiff base (E)-4-((4-(phenylethynyl) benzylidene) amino) benzenethiol (EPBB) molecules on a Au (111) surface at room temperature. Scanning tunneling microscopy and spectroscopy (STM/STS) were used to image and analyze the conformational changes of the EPBB molecules. The conformational change of the molecules was induced by using the STM tip while increasing the tunneling current. The switching of a domain or island of molecules was shown to be induced by the STM tip during scanning. Unambiguous fingerprints of the switching mechanism were observed via STM/STS measurements. Surface-enhanced Raman scattering was employed, to control and identify quantitatively the switching mechanism of molecules in a monolayer. Density functional theory calculations were also performed in order to understand the microscopic details of the switching mechanism. These calculations revealed that the molecular switching behavior stemmed from the strong interaction of the EPBB molecules with the STM tip. Our approach to controlling intermolecular mechanics provides a path towards the bottom-up assembly of more sophisticated molecular machines.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000383780500012 Publication Date 2016-07-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0957-4484 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.44 Times cited 2 Open Access  
  Notes ; The authors acknowledge financial support from TUBITAK (PROJECT NO: 112T507). This work was also supported by the Flemish Science Foundation (FWO-Vl). Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid-Infrastructure). HS is supported by an FWO Pegasus Long Marie Curie Fellowship. ; Approved Most recent IF: 3.44  
  Call Number UA @ lucian @ c:irua:137155 Serial 4363  
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Author Petrovic, M.D.; Milovanović, S.P.; Peeters, F.M. pdf  doi
openurl 
  Title Scanning gate microscopy of magnetic focusing in graphene devices : quantum versus classical simulation Type A1 Journal article
  Year 2017 Publication Nanotechnology Abbreviated Journal Nanotechnology  
  Volume 28 Issue 28 Pages 185202  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract We compare classical versus quantum electron transport in recently investigated magnetic focusing devices (Bhandari et al 2016 Nano Lett. 16 1690) exposed to the perturbing potential of a scanning gate microscope (SGM). Using the Landauer-Buttiker formalism for a multi-terminal device, we calculate resistance maps that are obtained as the SGM tip is scanned over the sample. There are three unique regimes in which the scanning tip can operate (focusing, repelling, and mixed regime) which are investigated. Tip interacts mostly with electrons with cyclotron trajectories passing directly underneath it, leaving a trail of modified current density behind it. Other (indirect) trajectories become relevant when the tip is placed near the edges of the sample, and current is scattered between the tip and the edge. We point out that, in contrast to SGM experiments on gapped semiconductors, the STM tip can induce a pn junction in graphene, which improves contrast and resolution in SGM. We also discuss possible explanations for spatial asymmetry of experimentally measured resistance maps, and connect it with specific configurations of the measuring probes.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000399273800001 Publication Date 2017-03-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0957-4484 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.44 Times cited 7 Open Access  
  Notes ; This work was supported by the Methusalem program of the Flemish government. ; Approved Most recent IF: 3.44  
  Call Number UA @ lucian @ c:irua:143639 Serial 4607  
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Author Li, L.L.; Moldovan, D.; Xu, W.; Peeters, F.M. pdf  doi
openurl 
  Title Electric-and magnetic-field dependence of the electronic and optical properties of phosphorene quantum dots Type A1 Journal article
  Year 2017 Publication Nanotechnology Abbreviated Journal Nanotechnology  
  Volume 28 Issue 8 Pages 085702  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Recently, black phosphorus quantum dots were fabricated experimentally. Motivated by these experiments, we theoretically investigate the electronic and optical properties of rectangular phosphorene quantum dots (RPQDs) in the presence of an in-plane electric field and a perpendicular magnetic field. The energy spectra and wave functions of RPQDs are obtained numerically using the tight-binding approach. We find edge states within the band gap of the RPQD which are well separated from the bulk states. In an undoped RPQD and for in-plane polarized light, due to the presence of well-defined edge states, we find three types of optical transitions which are between the bulk states, between the edge and bulk states, and between the edge states. The electric and magnetic fields influence the bulk-to-bulk, edge-to-bulk, and edge-to- edge transitions differently due to the different responses of bulk and edge states to these fields.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000403100700001 Publication Date 2017-01-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0957-4484 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.44 Times cited 32 Open Access  
  Notes ; This work was financially supported by the China Scholarship Council (CSC), the Flemish Science Foundation (FWO-Vl), the National Natural Science Foundation of China (Grant Nos. 11304316 and 11574319), and by the Chinese Academy of Sciences (CAS). ; Approved Most recent IF: 3.44  
  Call Number UA @ lucian @ c:irua:144325 Serial 4648  
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Author Zhang, R.; Wu, Z.; Li, X.J.; Li, L.L.; Chen, Q.; Li, Y.-M.; Peeters, F.M. pdf  doi
openurl 
  Title Fano resonances in bilayer phosphorene nanoring Type A1 Journal article
  Year 2018 Publication Nanotechnology Abbreviated Journal Nanotechnology  
  Volume 29 Issue 21 Pages 215202  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Tunable transport properties and Fano resonances are predicted in a circular bilayer phosphorene nanoring. The conductance exhibits Fano resonances with varying incident energy and applied perpendicular magnetic field. These Fano resonance peaks can be accurately fitted with the well known Fano curves. When a magnetic field is applied to the nanoring, the conductance oscillates periodically with magnetic field which is reminiscent of the Aharonov-Bohm effect. Fano resonances are tightly related to the discrete states in the central nanoring, some of which are tunable by the magnetic field.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000428920200001 Publication Date 2018-03-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0957-4484 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.44 Times cited 4 Open Access  
  Notes ; This work was supported by Grant No. 2017YFA0303400 from the National Key R&D Program of China, the Flemish Science Foundation, the grants No. 2016YFE0110000, No. 2015CB921503, and No. 2016YFA0202300 from the MOST of China, the NSFC (Grants Nos. 11504366, 11434010, 61674145 and 61774168) and CAS (Grants No. QYZDJ-SSW-SYS001). ; Approved Most recent IF: 3.44  
  Call Number UA @ lucian @ c:irua:150713UA @ admin @ c:irua:150713 Serial 4968  
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Author Aierken, Y.; Sevik, C.; Gulseren, O.; Peeters, F.M.; Çakir, D. pdf  url
doi  openurl
  Title In pursuit of barrierless transition metal dichalcogenides lateral heterojunctions Type A1 Journal article
  Year 2018 Publication Nanotechnology Abbreviated Journal Nanotechnology  
  Volume 29 Issue 29 Pages 295202  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract There is an increasing need to understand interfaces between two-dimensional materials to realize an energy efficient boundary with low contact resistance and small heat dissipation. In this respect, we investigated the impact of charge and substitutional atom doping on the electronic transport properties of the hybrid metallic-semiconducting lateral junctions, formed between metallic (1T and 1T(d)) and semiconducting (1H) phases of MoS2 by means of first-principles and non-equilibrium Green function formalism based calculations. Our results clearly revealed the strong influence of the type of interface and crystallographic orientation of the metallic phase on the transport properties of these systems. The Schottky barrier height, which is the dominant mechanism for contact resistance, was found to be as large as 0.63 eV and 1.19 eV for holes and electrons, respectively. We found that armchair interfaces are more conductive as compared to zigzag termination due to the presence of the metallic Mo zigzag chains that are directed along the transport direction. In order to manipulate these barrier heights we investigated the influence of electron doping of the metallic part (i.e. 1T(d) -MoS2). We observed that the Fermi level of the hybrid system moves towards the conduction band of semiconducting 1H-MoS2 due to filling of 4d-orbital of metallic MoS2, and thus the Schottky barrier for electrons decreases considerably. Besides electron doping, we also investigated the effect of substitutional doping of metallic MoS2 by replacing Mo atoms with either Re or Ta. Due to its valency, Re (Ta) behaves as a donor (acceptor) and reduces the Schottky barrier for electrons (holes). Since Re and Ta based transition metal dichalcogenides crystallize in either the 1T(d) or 1T phase, substitutional doping with these atom favors the stabilization of the 1T(d) phase of MoS2. Co-doping of hybrid structure results in an electronic structure, which facilities easy dissociation of excitons created in the 1H part.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000432823800002 Publication Date 2018-05-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0957-4484 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.44 Times cited 4 Open Access  
  Notes ; This work was supported by the bilateral project between the The Scientific and Technological Research Council of Turkey (TUBITAK) and FWO-Flanders, Flemish Science Foundation (FWO-VI) and the Methusalem foundation of the Flemish government. Computational resources were provided by 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 TUBITAK (Grant No. 115F024). ; Approved Most recent IF: 3.44  
  Call Number UA @ lucian @ c:irua:151451UA @ admin @ c:irua:151451 Serial 5029  
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Author Shah, N.A.; Li, L.L.; Mosallanejad, V.; Peeters, F.M.; Guo, G.-P. pdf  url
doi  openurl
  Title Transport characteristics of multi-terminal pristine and defective phosphorene systems Type A1 Journal article
  Year 2019 Publication Nanotechnology Abbreviated Journal Nanotechnology  
  Volume 30 Issue 45 Pages 455705  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Atomic vacancies and nanopores act as local scattering centers and modify the transport properties of charge carriers in phosphorene nanoribbons (PNRs). We investigate the influence of such atomic defects on the electronic transport of multi-terminal PNR. We use the non-equilibrium Green's function approach within the tight-binding framework to calculate the transmission coefficient and the conductance. Terminals induce band mixing resulting in oscillations in the conductance. In the presence of atomic vacancies and nanopores the conductance between non-axial terminals exhibit constructive scattering, which is in contrast to mono-axial two-terminal systems where the conductance exhibits destructive scattering. This can be understood from the spatial local density of states of the transport modes in the system. Our results provide fundamental insights into the electronic transport in PNR-based multi-terminal systems and into the ability of atomic defects and nanopores through tuning the transport properties.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000483049100001 Publication Date 2019-08-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0957-4484 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.44 Times cited 7 Open Access  
  Notes ; This work was supported by the National Key Research and Development Program of China (Grant No. 2016YFA0301700), the NNSFC (Grant No. 11625419), the Strategic Priority Research Program of the CAS (Grant Nos. XDB24030601 and XDB30000000), the Anhui initiative in Quantum information Technologies (Grants No. AHY080000), and the Flemish Science Foundation (FWO-Vl). This work was also supported by the Chinese Academy of Sciences and the World Academy of Science for the advancement of science in developing countries. ; Approved Most recent IF: 3.44  
  Call Number UA @ admin @ c:irua:162760 Serial 5429  
Permanent link to this record
 

 
Author Bafekry, A.; Shahrokhi, M.; Shafique, A.; Jappor, H.R.; Shojaei, F.; Feghhi, S.A.H.; Ghergherehchi, M.; Gogova, D. pdf  url
doi  openurl
  Title Two-dimensional carbon nitride C₆N nanosheet with egg-comb-like structure and electronic properties of a semimetal Type A1 Journal article
  Year 2021 Publication Nanotechnology Abbreviated Journal Nanotechnology  
  Volume 32 Issue 21 Pages 215702  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract In this study, the structural, electronic and optical properties of theoretically predicted C6N monolayer structure are investigated by means of Density Functional Theory-based First-Principles Calculations. Phonon band dispersion calculations and molecular dynamics simulations reveal the dynamical and thermal stability of the C6N single-layer structure. We found out that the C6N monolayer has large negative in-plane Poisson's ratios along both X and Y direction and the both values are almost four times that of the famous-pentagraphene. The electronic structure shows that C6N monolayer is a semi-metal and has a Dirac-point in the BZ. The optical analysis using the random phase approximation method constructed over HSE06 illustrates that the first peak of absorption coefficient of the C6N monolayer along all polarizations is located in the IR range of spectrum, while the second absorption peak occurs in the visible range, which suggests its potential applications in optical and electronic devices. Interestingly, optically anisotropic character of this system is highly desirable for the design of polarization-sensitive photodetectors. Thermoelectric properties such as Seebeck coefficient, electrical conductivity, electronic thermal conductivity and power factor are investigated as a function of carrier doping at temperatures 300, 400, and 500 K. In general, we predict that the C6N monolayer could be a new platform for study of novel physical properties in two-dimensional semi-metal materials, which may provide new opportunities to realize high-speed low-dissipation devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000624531500001 Publication Date 2020-12-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0957-4484 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.44 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 3.44  
  Call Number UA @ admin @ c:irua:176648 Serial 6740  
Permanent link to this record
 

 
Author Osca, J.; Moors, K.; Sorée, B.; Serra, L. pdf  doi
openurl 
  Title Fabry-Perot interferometry with gate-tunable 3D topological insulator nanowires Type A1 Journal article
  Year 2021 Publication Nanotechnology Abbreviated Journal Nanotechnology  
  Volume 32 Issue 43 Pages 435002  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Three-dimensional topological insulator (3D TI) nanowires display remarkable magnetotransport properties that can be attributed to their spin-momentum-locked surface states such as quasiballistic transport and Aharonov-Bohm oscillations. Here, we focus on the transport properties of a 3D TI nanowire with a gated section that forms an electronic Fabry-Perot (FP) interferometer that can be tuned to act as a surface-state filter or energy barrier. By tuning the carrier density and length of the gated section of the wire, the interference pattern can be controlled and the nanowire can become fully transparent for certain topological surface-state input modes while completely filtering out others. We also consider the interplay of FP interference with an external magnetic field, with which Klein tunneling can be induced, and transverse asymmetry of the gated section, e.g. due to a top-gated structure, which displays an interesting analogy with Rashba nanowires. Due to its rich conductance phenomenology, we propose a 3D TI nanowire with gated section as an ideal setup for a detailed transport-based characterization of 3D TI nanowire surface states near the Dirac point, which could be useful towards realizing 3D TI nanowire-based topological superconductivity and Majorana bound states.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000682173800001 Publication Date 2021-07-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0957-4484 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.44 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 3.44  
  Call Number UA @ admin @ c:irua:180487 Serial 6990  
Permanent link to this record
 

 
Author Miranda, L.P.; da Costa, D.R.; Peeters, F.M.; Costa Filho, R.N. pdf  url
doi  openurl
  Title Vacancy clustering effect on the electronic and transport properties of bilayer graphene nanoribbons Type A1 Journal article
  Year 2023 Publication Nanotechnology Abbreviated Journal  
  Volume 34 Issue 5 Pages 055706-55710  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Experimental realizations of two-dimensional materials are hardly free of structural defects such as e.g. vacancies, which, in turn, modify drastically its pristine physical defect-free properties. In this work, we explore effects due to point defect clustering on the electronic and transport properties of bilayer graphene nanoribbons, for AA and AB stacking and zigzag and armchair boundaries, by means of the tight-binding approach and scattering matrix formalism. Evident vacancy concentration signatures exhibiting a maximum amplitude and an universality regardless of the system size, stacking and boundary types, in the density of states around the zero-energy level are observed. Our results are explained via the coalescence analysis of the strong sizeable vacancy clustering effect in the system and the breaking of the inversion symmetry at high vacancy densities, demonstrating a similar density of states for two equivalent degrees of concentration disorder, below and above the maximum value.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000886630000001 Publication Date 2022-11-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0957-4484 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.5 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 3.5; 2023 IF: 3.44  
  Call Number UA @ admin @ c:irua:192030 Serial 7350  
Permanent link to this record
 

 
Author Oncel, N.; Çakir, D.; Dil, J.H.; Slomski, B.; Landolt, G. pdf  doi
openurl 
  Title Angle-resolved synchrotron photoemission and density functional theory on the iridium modified Si(111) surface Type A1 Journal article
  Year 2014 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 26 Issue 28 Pages 285501  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The physical and electronic properties of the Ir modified Si(1 1 1) surface have been investigated with the help of angle resolved photoemission spectroscopy and density functional theory. The surface consists of Ir-ring clusters that form a root 7 x root 7 -R19.1 degrees reconstruction. A comparison between the measured and calculated band structure of the system reveals that the dispersions of the projected bulk states and the states originating from '1x1' domains are heavily modified due to Umklapp scattering from the surface Brillouin zone. Density of states calculations show that Ir-ring clusters contribute to the states in the vicinity of the Fermi level.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000338830300019 Publication Date 2014-06-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 4 Open Access  
  Notes ; This work was partially supported by the National Science Foundation (DMR-1306101), North Dakota EPSCoR office (NSF grant #EPS-814442), the University of North Dakota and the Swiss National Science Foundation. Computer resources used in this work partially provided by Computational Research Center (HPC-Linux cluster) at UND and TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). ; Approved Most recent IF: 2.649; 2014 IF: 2.346  
  Call Number UA @ lucian @ c:irua:118636 Serial 114  
Permanent link to this record
 

 
Author Neek-Amal, M.; Peeters, F.M. pdf  doi
openurl 
  Title Buckled circular monolayer graphene : a graphene nano-bowl Type A1 Journal article
  Year 2011 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 23 Issue 4 Pages 045002-045002,8  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We investigate the stability of circular monolayer graphene subjected to a radial load using non-equilibrium molecular dynamics simulations. When monolayer graphene is radially stressed, after some small circular strain (~0.4%) it buckles and bends into a new bowl-like shape. Young's modulus is calculated from the linear relation between stress and strain before the buckling threshold, which is in agreement with experimental results. The prediction of elasticity theory for the buckling threshold of a radially stressed plate is presented and its results are compared to the one of our atomistic simulation. The Jarzynski equality is used to estimate the difference between the free energy of the non-compressed states and the buckled states. From a calculation of the free energy we obtain the optimum radius for which the system feels the minimum boundary stress.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000286142800003 Publication Date 2010-12-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 27 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ; Approved Most recent IF: 2.649; 2011 IF: 2.546  
  Call Number UA @ lucian @ c:irua:88043 Serial 259  
Permanent link to this record
 

 
Author Petrovic, M.D.; Peeters, F.M.; Chaves, A.; Farias, G.A. pdf  doi
openurl 
  Title Conductance maps of quantum rings due to a local potential perturbation Type A1 Journal article
  Year 2013 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 25 Issue 49 Pages 495301-495309  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We performed a numerical simulation of the dynamics of a Gaussian shaped wavepacket inside a small sized quantum ring, smoothly connected to two leads and exposed to a perturbing potential of a biased atomic force microscope tip. Using the Landauer formalism, we calculated conductance maps of this system in the case of single and two subband transport. We explain the main features in the conductance maps as due to the AFM tip influence on the wavepacket phase and amplitude. In the presence of an external magnetic field, the tip modifies the phi(0) periodic Aharonov-Bohm oscillation pattern into a phi(0)/2 periodic Al'tshuler-Aronov-Spivak oscillation pattern. Our results in the case of multiband transport suggest tip selectivity to higher subbands, making them more observable in the total  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000327181400002 Publication Date 2013-11-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 12 Open Access  
  Notes ; This work was supported by the Methusalem programme of the Flemish government, the CNPq-FWO bilateral programme and PNPD and FUNCAP/PRONEX grants. ; Approved Most recent IF: 2.649; 2013 IF: 2.223  
  Call Number UA @ lucian @ c:irua:112694 Serial 478  
Permanent link to this record
 

 
Author da Costa, W.B.; Peeters, F.M. doi  openurl
  Title Diagonalization of the generalized Feynman bipolaron model in a magnetic field Type A1 Journal article
  Year 1995 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 7 Issue Pages 1293-1304  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos A1995QJ24700011 Publication Date 2002-08-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 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:12199 Serial 687  
Permanent link to this record
 

 
Author Borza, S.; Peeters, F.M.; Vasilopoulos, P.; Papp, G. url  doi
openurl 
  Title Electric-field manipulation of spin states in confined non-magnetic/magnetic heterostructures Type A1 Journal article
  Year 2007 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 19 Issue 17 Pages 176221,1-10  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000246556400033 Publication Date 2007-04-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 4 Open Access  
  Notes Approved Most recent IF: 2.649; 2007 IF: 1.886  
  Call Number UA @ lucian @ c:irua:64758 Serial 885  
Permanent link to this record
 

 
Author Ravi Kishore, V.V.; Partoens, B.; Peeters, F.M. pdf  doi
openurl 
  Title Electronic and optical properties of core-shell nanowires in a magnetic field Type A1 Journal article
  Year 2014 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 26 Issue 9 Pages 095501-95512  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The electronic and optical properties of zincblende nanowires are investigated in the presence of a uniform magnetic field directed along the [001] growth direction within the k . p method. We focus our numerical study on core-shell nanowires consisting of the III-V materials GaAs, AlxGa1-xAs and AlyGa1-y/0.51In0.49P. Nanowires with electrons confined in the core exhibit a Fock-Darwin-like spectrum, whereas nanowires with electrons confined in the shell show Aharonov-Bohm oscillations. Thus, by properly choosing the core and the shell materials of the nanowire, the optical properties in a magnetic field can be tuned in very different ways.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000331954500006 Publication Date 2014-02-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 10 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish government. ; Approved Most recent IF: 2.649; 2014 IF: 2.346  
  Call Number UA @ lucian @ c:irua:115845 Serial 998  
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Author Sena, S.H.R.; Pereira, J.M.; Farias, G.A.; Peeters, F.M.; Costa Filho, R.N. pdf  doi
openurl 
  Title The electronic properties of graphene and graphene ribbons under simple shear strain Type A1 Journal article
  Year 2012 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 24 Issue 37 Pages 375301  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract A tight-binding model is used to study the energy band of graphene and graphene ribbon under simple shear strain. The ribbon consists of lines of carbon atoms in an armchair or zigzag orientation where a simple shear strain is applied in the x-direction keeping the atomic distances in the y-direction unchanged. Such modification in the lattice gives an energy band that differs in several aspects from the one without any shear and with pure shear. The changes in the spectrum depend on the line displacement of the ribbon, and also on the modified hopping parameter. It is also shown that this simple shear strain tunes the electronic properties of both graphene and graphene ribbon, opening and closing energy gaps for different displacements of the system. The modified density of states is also shown.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000308202700011 Publication Date 2012-08-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 15 Open Access  
  Notes ; This work was supported by CNPq (RNCF), the National Council for the Improvement of Higher Education (CAPES), the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the bilateral program between Flanders and Brazil. ; Approved Most recent IF: 2.649; 2012 IF: 2.355  
  Call Number UA @ lucian @ c:irua:101838 Serial 1000  
Permanent link to this record
 

 
Author 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 (down) 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 Tadić, M.; Peeters, F.M. pdf  doi
openurl 
  Title Exciton states and oscillator strength in two vertically coupled InP/InGaP quantum discs Type A1 Journal article
  Year 2004 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 16 Issue 47 Pages 8633-8652  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Quantum mechanical coupling and strain in two vertically arranged InP/InGaP quantum dots is studied as a function of the size of the dots and the spacer thickness. The strain distribution is determined by the continuum mechanical model, while the single-band effective-mass equation and the multiband k (.) p theory are employed to compute the conduction and valence band energy levels, respectively. The exciton states are obtained from an exact diagonalization approach, and we also compute the oscillator strength for recombination. We found that the light holes are confined by strain to the spacer, which is the reason that the hole states exhibit coupling at much larger distances as compared with the electrons. At small d, the doublet structure of the hole energy levels arises as a consequence of the relocation of the light hole from the matrix to the regions located-outside the stack, close to the dot-matrix interface. When d varies, the exciton ground state exhibits numerous anticrossings with other states, which are related to the changing spatial localization of the hole as a function of d. The oscillator strength of the exciton recombination is strongly reduced in a certain range of spacer thicknesses, which effectively turns a bright exciton state into a dark one. This effect is associated with anticrossings between exciton energy levels.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000225796800016 Publication Date 2004-11-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 13 Open Access  
  Notes Approved Most recent IF: 2.649; 2004 IF: 2.049  
  Call Number UA @ lucian @ c:irua:99315 Serial 1116  
Permanent link to this record
 

 
Author Slachmuylders, A.F.; Partoens, B.; Magnus, W.; Peeters, F.M. doi  openurl
  Title Exciton states in cylindrical nanowires Type A1 Journal article
  Year 2006 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 18 Issue 16 Pages 3951-3966  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000237749000013 Publication Date 2006-04-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 27 Open Access  
  Notes Approved Most recent IF: 2.649; 2006 IF: 2.038  
  Call Number UA @ lucian @ c:irua:59473 Serial 1118  
Permanent link to this record
 

 
Author Freire, J.A.K.; Peeters, F.M.; Freire, V.N.; Farias, G.A. doi  openurl
  Title Exciton trapping in magnetic wire structures Type A1 Journal article
  Year 2001 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 13 Issue Pages 3283-3295  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000168269200006 Publication Date 2002-08-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 3 Open Access  
  Notes Approved Most recent IF: 2.649; 2001 IF: 1.611  
  Call Number UA @ lucian @ c:irua:37302 Serial 1121  
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