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Author Saniz, R.; Xu, Y.; Matsubara, M.; Amini, M.N.; Dixit, H.; Lamoen, D.; Partoens, B.
Title A simplified approach to the band gap correction of defect formation energies : Al, Ga, and In-doped ZnO Type A1 Journal article
Year 2013 Publication The journal of physics and chemistry of solids Abbreviated Journal J Phys Chem Solids
Volume 74 Issue (down) 1 Pages 45-50
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract The calculation of defect levels in semiconductors within a density functional theory approach suffers greatly from the band gap problem. We propose a band gap correction scheme that is based on the separation of energy differences in electron addition and relaxation energies. We show that it can predict defect levels with a reasonable accuracy, particularly in the case of defects with conduction band character, and yet is simple and computationally economical. We apply this method to ZnO doped with group III elements (Al, Ga, In). As expected from experiment, the results indicate that Zn substitutional doping is preferred over interstitial doping in Al, Ga, and In-doped ZnO, under both zinc-rich and oxygen-rich conditions. Further, all three dopants act as shallow donors, with the +1 charge state having the most advantageous formation energy. Also, doping effects on the electronic structure of ZnO are sufficiently mild so as to affect little the fundamental band gap and lowest conduction bands dispersion, which secures their n-type transparent conducting behavior. A comparison with the extrapolation method based on LDA+U calculations and with the HeydScuseriaErnzerhof hybrid functional (HSE) shows the reliability of the proposed scheme in predicting the thermodynamic transition levels in shallow donor systems.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000311062500009 Publication Date 2012-08-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3697; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.059 Times cited 36 Open Access
Notes Fwo; Bof-Nio Approved Most recent IF: 2.059; 2013 IF: 1.594
Call Number UA @ lucian @ c:irua:101782 Serial 3004
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Author Nelissen, K.; Matulis, A.; Partoens, B.; Kong, M.; Peeters, F.M.
Title Spectrum of classical two-dimensional Coulomb clusters Type A1 Journal article
Year 2006 Publication Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics Abbreviated Journal Phys Rev E
Volume 73 Issue (down) 1 Pages 016607,1-7
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000235008800095 Publication Date 2006-01-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1539-3755;1550-2376; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.366 Times cited 33 Open Access
Notes Approved Most recent IF: 2.366; 2006 IF: 2.438
Call Number UA @ lucian @ c:irua:56611 Serial 3075
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Author Leenaerts, O.; Partoens, B.; Peeters, F.M.
Title Tunable double Dirac cone spectrum in bilayer \alpha-graphyne Type A1 Journal article
Year 2013 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 103 Issue (down) 1 Pages 013105-4
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Monolayer alpha-graphyne was recently proposed as a new all-carbon material having an electronic spectrum consisting of Dirac cones. Based on a first-principles investigation of bilayer alpha-graphyne, we show that the electronic band structure is qualitatively different from its monolayer form and depends crucially on the stacking mode of the two layers. Two stable stacking modes are found: a configuration with a gapless parabolic band structure, similar to AB stacked bilayer graphene, and another one which exhibits a doubled Dirac-cone spectrum. The latter can be tuned by an electric field with a gap opening rate of 0.3 eA. (C) 2013 AIP Publishing LLC.
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Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000321497200032 Publication Date 2013-07-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 58 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the NOI-BOF of the University of Antwerp, and the ESF EuroGRAPHENE project CONGRAN. ; Approved Most recent IF: 3.411; 2013 IF: 3.515
Call Number UA @ lucian @ c:irua:109821 Serial 3740
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Author Bekaert, J.; Aperis, A.; Partoens, B.; Oppeneer, P.M.; Milošević, M.V.
Title Advanced first-principles theory of superconductivity including both lattice vibrations and spin fluctuations : the case of FeB4 Type A1 Journal article
Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 97 Issue (down) 1 Pages 014503
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract <script type='text/javascript'>document.write(unpmarked('We present an advanced method to study spin fluctuations in superconductors quantitatively and entirely from first principles. This method can be generally applied to materials where electron-phonon coupling and spin fluctuations coexist. We employ it here to examine the recently synthesized superconductor iron tetraboride (FeB4) with experimental T-c similar to 2.4 K [H. Gou et al., Phys. Rev. Lett, 111, 157002 (2013)]. We prove that FeB4 is particularly prone to ferromagnetic spin fluctuations due to the presence of iron, resulting in a large Stoner interaction strength, I = 1.5 eV, as calculated from first principles. The other important factor is its Fermi surface that consists of three separate sheets, among which two are nested ellipsoids. The resulting susceptibility has a ferromagnetic peak around q = 0, from which we calculated the repulsive interaction between Cooper pair electrons using the random phase approximation. Subsequently, we combined the electron-phonon interaction calculated from first principles with the spin fluctuation interaction in fully anisotropic Eliashberg theory calculations. We show that the resulting superconducting gap spectrum is conventional, yet very strongly depleted due to coupling to the spin fluctuations. The critical temperature decreases from T-c = 41 K, if they are not taken into account, to T-c = 1.7 K, in good agreement with the experimental value.'));
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Corporate Author Thesis
Publisher American Physical Society Place of Publication New York, N.Y Editor
Language Wos 000419229100004 Publication Date 2018-01-04
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 23 Open Access
Notes ; This work was supported by TOPBOF-UAntwerp, Research Foundation Flanders (FWO), the Swedish Research Council (VR), and the Rontgen-Angstrom Cluster. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation Flanders (FWO) and the Flemish Government-department EWI. Anisotropic Eliashberg theory calculations were supported through the Swedish National Infrastructure for Computing (SNIC). ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:148447UA @ admin @ c:irua:148447 Serial 4866
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Author Li, L.L.; Partoens, B.; Xu, W.; Peeters, F.M.
Title Electric-field modulation of linear dichroism and Faraday rotation in few-layer phosphorene Type A1 Journal article
Year 2019 Publication 2D materials Abbreviated Journal 2D Mater
Volume 6 Issue (down) 1 Pages 015032
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Electro-optical modulators, which use an electric voltage (or an electric field) to modulate a beam of light, are essential elements in present-day telecommunication devices. Using a self-consistent tight-binding approach combined with the standard Kubo formula, we show that the optical conductivity and the linear dichroism of few-layer phosphorene can be modulated by a perpendicular electric field. We find that the field-induced charge screening plays a significant role in modulating the optical conductivity and the linear dichroism. Distinct absorption peaks are induced in the conductivity spectrum due to the strong quantum confinement along the out-of-plane direction and to the field-induced forbidden-to-allowed transitions. The field modulation of the linear dichroism becomes more pronounced with increasing number of phosphorene layers. We also show that the Faraday rotation is present in few-layer phosphorene even in the absence of an external magnetic field. This optical Hall effect is induced by the reduced lattice symmetry of few-layer phosphorene. The Faraday rotation is greatly influenced by the field-induced charge screening and is strongly dependent on the strength of perpendicular electric field and on the number of phosphorene layers.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000454321100002 Publication Date 2018-11-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.937 Times cited 23 Open Access
Notes ; This work was financially supported by the Flemish Science Foundation (FWO-Vl) and by the FLAG-ERA project TRANS-2D-TMD. ; Approved Most recent IF: 6.937
Call Number UA @ admin @ c:irua:156776 Serial 5207
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Author Hassani, H.; Partoens, B.; Bousquet, E.; Ghosez, P.
Title First-principles study of lattice dynamical properties of the room-temperature P2₁/n and ground-state P2₁/c phases of WO₃ Type A1 Journal article
Year 2022 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 105 Issue (down) 1 Pages 014107
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using first-principles density functional theory, we investigate the dynamical properties of the roomtemperature P21/n and ground-state P21/c phases of WO3. As a preliminary step, we assess the validity of various standard and hybrid functionals, concluding that the best description is achieved with the B1-WC hybrid functional while a reliable description can also be provided using the standard LDA functional. We also carefully rediscuss the structure and energetics of all experimentally observed and a few hypothetical metastable phases in order to provide deeper insight into the unusual sequence of phase transition of WO3 with temperature. Then, we provide a comprehensive theoretical study of the lattice dynamical properties of the P21/n and P21/c phases, reporting zone-center phonons, infrared and Raman spectra, as well as the full phonon dispersion curves, which attest to the dynamical stability of both phases. We carefully discuss the spectra, explaining the physical origin of their main features and evolution from one phase to another. We reveal a systematic connection between the dynamical and structural properties of WO3, highlighting that the number of peaks in the high-frequency range of the Raman spectrum appears as a fingerprint of the number of antipolar distortions that are present in the structure and a practical way to discriminate between the different phases.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000747398100004 Publication Date 2022-01-24
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 5 Open Access Not_Open_Access
Notes Approved Most recent IF: 3.7
Call Number UA @ admin @ c:irua:186388 Serial 6994
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Author Jorissen, B.; Covaci, L.; Partoens, B.
Title Comparative analysis of tight-binding models for transition metal dichalcogenides Type A1 Journal article
Year 2024 Publication SciPost physics core Abbreviated Journal
Volume 7 Issue (down) 1 Pages 004-30
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract We provide a comprehensive analysis of the prominent tight-binding (TB) models for transition metal dichalcogenides (TMDs) available in the literature. We inspect the construction of these TB models, discuss their parameterization used and conduct a thorough comparison of their effectiveness in capturing important electronic properties. Based on these insights, we propose a novel TB model for TMDs designed for enhanced computational efficiency. Utilizing MoS2 as a representative case, we explain why specific models offer a more accurate description. Our primary aim is to assist researchers in choosing the most appropriate TB model for their calculations on TMDs.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001170769300001 Publication Date 2024-02-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:202983 Serial 9012
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Author Peeters, F.M.; Partoens, B.; Schweigert, V.A.; Schweigert, I.V.
Title Classical atomic bilayers Type H1 Book chapter
Year 1998 Publication Abbreviated Journal
Volume Issue (down) Pages 523-527
Keywords H1 Book chapter; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Plenum Press Place of Publication New York Editor
Language Wos 000083193600095 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record;
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:24177 Serial 363
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Author Saniz, R.; Sarmadian, N.; Partoens, B.; Batuk, M.; Hadermann, J.; Marikutsa, A.; Rumyantseva, M.; Gaskov, A.; Lamoen, D.
Title First-principles study of CO and OH adsorption on in-doped ZnO surfaces Type A1 Journal article
Year 2019 Publication The journal of physics and chemistry of solids Abbreviated Journal J Phys Chem Solids
Volume 132 Issue (down) Pages 172-181
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract We present a first-principles computational study of CO and OH adsorption on non-polar ZnO (10¯10) surfaces doped with indium. The calculations were performed using a model ZnO slab. The position of the In dopants was varied from deep bulk-like layers to

the surface layers. It was established that the preferential location of the In atoms is at the surface by examining the dependence of

the defect formation energy as well as the surface energy on In location. The adsorption sites on the surface of ZnO and the energy

of adsorption of CO molecules and OH-species were determined in connection to In doping. It was found that OH has higher

bonding energy to the surface than CO. The presence of In atoms at the surface of ZnO is favorable for CO adsorption, resulting

in an elongation of the C-O bond and in charge transfer to the surface. The effect of CO and OH adsorption on the electronic

and conduction properties of surfaces was assessed. We conclude that In-doped ZnO surfaces should present a higher electronic

response upon adsorption of CO.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000472124700023 Publication Date 2019-04-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3697 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.059 Times cited 7 Open Access Not_Open_Access: Available from 26.04.2021
Notes FWO-Vlaanderen, G0D6515N ; ERA.Net RUS Plus, 096 ; VSC; HPC infrastructure of the University of Antwerp; FWO-Vlaanderen; Flemish Government-department EWI; Approved Most recent IF: 2.059
Call Number EMAT @ emat @UA @ admin @ c:irua:159656 Serial 5170
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Author Saniz, R.; Bekaert, J.; Partoens, B.; Lamoen, D.
Title First-principles study of defects at Σ3 grain boundaries in CuGaSe2 Type A1 Journal article
Year 2021 Publication Solid State Communications Abbreviated Journal Solid State Commun
Volume Issue (down) Pages 114263
Keywords A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)
Abstract We present a first-principles computational study of cation–Se 3 (112) grain boundaries in CuGaSe. We discuss the structure of these grain boundaries, as well as the effect of native defects and Na impurities on their electronic properties. The formation energies show that the defects will tend to form preferentially at the grain boundaries, rather than in the grain interiors. We find that in Ga-rich growth conditions Cu vacancies as well as Ga at Cu and Cu at Ga antisites are mainly responsible for having the equilibrium Fermi level pinned toward the middle of the gap, resulting in carrier depletion. The Na at Cu impurity in its +1 charge state contributes to this. In Ga-poor growth conditions, on the other hand, the formation energies of Cu vacancies and Ga at Cu antisites are comparatively too high for any significant influence on carrier density or on the equilibrium Fermi level position. Thus, under these conditions, the Cu at Ga antisites give rise to a -type grain boundary. Also, their formation energy is lower than the formation energy of Na at Cu impurities. Thus, the latter will fail to act as a hole barrier preventing recombination at the grain boundary, in contrast to what occurs in CuInSe grain boundaries. We also discuss the effect of the defects on the electronic properties of bulk CuGaSe, which we assume reflect the properties of the grain interiors.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000652668500013 Publication Date 2021-03-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0038-1098 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.554 Times cited 1 Open Access OpenAccess
Notes Fwo; We acknowledge the financial support of FWO-Vlaanderen, Belgium through project G.0150.13. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by FWO-Vlaanderen and the Flemish Government-department EWI. Approved Most recent IF: 1.554
Call Number EMAT @ emat @c:irua:176544 Serial 6703
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Author Bercx, M.; Mayda, S.; Depla, D.; Partoens, B.; Lamoen, D.
Title Plasmonic effects in the neutralization of slow ions at a metallic surface Type A1 Journal Article
Year 2023 Publication Contributions to Plasma Physics Abbreviated Journal Contrib. Plasma Phys
Volume Issue (down) Pages
Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
Abstract Secondary electron emission is an important process that plays a significant role in several plasma‐related applications. As measuring the secondary electron yield experimentally is very challenging, quantitative modelling of this process to obtain reliable yield data is critical as input for higher‐scale simulations. Here, we build upon our previous work combining density functional theory calculations with a model originally developed by Hagstrum to extend its application to metallic surfaces. As plasmonic effects play a much more important role in the secondary electron emission mechanism for metals, we introduce an approach based on Poisson point processes to include both surface and bulk plasmon excitations to the process. The resulting model is able to reproduce the yield spectra of several available experimental results quite well but requires the introduction of global fitting parameters, which describe the strength of the plasmon interactions. Finally, we use an in‐house developed workflow to calculate the electron yield for a list of elemental surfaces spanning the periodic table to produce an extensive data set for the community and compare our results with more simplified approaches from the literature.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001067651300001 Publication Date 2023-09-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0863-1042 ISBN Additional Links UA library record; WoS full record
Impact Factor 1.6 Times cited Open Access Not_Open_Access
Notes We acknowledge the financial support of FWO-Vlaanderen through project G.0216.14N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government-department EWI. Approved Most recent IF: 1.6; 2023 IF: 1.44
Call Number EMAT @ emat @c:irua:200330 Serial 8962
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Author Saniz, R.; Vercauteren, S.; Lamoen, D.; Partoens, B.; Barbiellini, B.
Title Accurate description of the van der Waals interaction of an electron-positron pair with the surface of a topological insulator Type P1 Proceeding
Year 2014 Publication Journal of physics : conference series Abbreviated Journal
Volume 505 Issue (down) Pages 012002
Keywords P1 Proceeding; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract Positrons can be trapped in localized states at the surface of a material, and thus quite selectively interact with core or valence surface electrons. Hence, advanced surface positron spectroscopy techniques can present the ideal tools to study a topological insulator, where surface states play a fundamental role. We analyze the problem of a positron at a TI surface, assuming that it is a weakly physisorbed positronium (Ps) atom. To determine if the surface of interest in a material can sustain such a physisorption, an accurate description of the underlying van der Waals (vdW) interaction is essential. We have developed a first-principles parameterfree method, based on the density functional theory, to extract key parameters determining the vdW interaction potential between a Ps atom and the surface of a given material. The method has been successfully applied to quartz and preliminary results on Bi2Te2Se indicate the existence of a positron surface state. We discuss the robustness of our predictions versus the most relevant approximations involved in our approach.
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Corporate Author Thesis
Publisher Place of Publication Bristol Editor
Language Wos 000338216500002 Publication Date 2014-04-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1742-6588;1742-6596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 2 Open Access
Notes ; We thank A. Weiss for very useful conversations. We acknowledge financial support from FWO-Vlaanderen (projectG.0150.13). This work was carried out using the HPC infrastructure of the University of Antwerp (CalcUA), adivision of the Flemish Supercomputer Center (VSC), funded by the Hercules foundation and the Flemish Government (EWI Department). B. B. is supported by DOE grants Nos. DE-FG02-07ER46352 and DE-AC02-05CH11231 for theory support at ALS, Berkeley, and a NERSC computer time allocation. ; Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:118264 Serial 46
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Author Leenaerts, O.; Partoens, B.; Peeters, F.M.
Title Adsorption of H2O, NH3, CO, NO2, and NO on graphene: a first-principles study Type A1 Journal article
Year 2008 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 77 Issue (down) Pages 125416,1-6
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Motivated by the recent realization of graphene sensors to detect individual gas molecules, we investigate the adsorption of H2O, NH3, CO, NO2, and NO on a graphene substrate using first-principles calculations. The optimal adsorption position and orientation of these molecules on the graphene surface is determined and the adsorption energies are calculated. Molecular doping, i.e., charge transfer between the molecules and the graphene surface, is discussed in light of the density of states and the molecular orbitals of the adsorbates. The efficiency of doping of the different molecules is determined and the influence of their magnetic moment is discussed.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000254543000133 Publication Date 2008-03-18
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 1392 Open Access
Notes This work was supported by the Flemish Science Foundation FWO-Vl, by the NOI-BOF of the University of Antwerp, and by the Belgian Science Policy IAP. Approved Most recent IF: 3.836; 2008 IF: 3.322
Call Number UA @ lucian @ c:irua:69634 Serial 67
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Author Park, K.; De Beule, C.; Partoens, B.
Title The ageing effect in topological insulators : evolution of the surface electronic structure of Bi2Se3 upon K adsorption Type A1 Journal article
Year 2013 Publication New journal of physics Abbreviated Journal New J Phys
Volume 15 Issue (down) Pages 113031-16
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Topological insulators (TIs) have attracted a lot of interest in recent years due to their topologically protected surface states, as well as exotic proximity-induced phenomena and device applications for TI heterostructures. Since the first experimental studies of TIs, angle-resolved photoemission spectra (ARPES) showed that the electronic structure of the topological surface states significantly changes as a function of time after cleavage. The origin and underlying mechanism of this ageing effect are still under debate, despite its importance. Here we investigate the evolution of the surface Dirac cone for Bi2Se3 films upon asymmetric potassium (K) adsorption, using density-functional theory and a tight-binding model. We find that the K adatoms induce short-ranged downward band bending within 2-3 nm from the surface, due to charge transfer from the adatoms to the TI. These findings are in contrast to earlier proposals in the literature, that propose a long-ranged downward band bending up to 15 nm from the surface. Furthermore, as the charge transfer increases, we find that a new Dirac cone, localized slightly deeper into the TI than the original one, appears at the K-adsorbed surface, originating from strong Rashba-split conduction-band states. Our results suggest possible reinterpretations of experiments because the new Dirac cone might have been observed in ARPES measurements instead of the original one that appears immediately after cleavage. Our findings are consistent with ARPES data and provide insight into building TI-heterostructure devices by varying the band-bending potential or film thickness.
Address
Corporate Author Thesis
Publisher Place of Publication Bristol Editor
Language Wos 000326876100006 Publication Date 2013-11-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1367-2630; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.786 Times cited 45 Open Access
Notes ; KP was supported by National Science Foundation grant numbers DMR-0804665 and DMR-1206354 and SDSC Trestles under DMR060009N. CDB was supported by the Research Foundation Flanders (FWO). ; Approved Most recent IF: 3.786; 2013 IF: 3.671
Call Number UA @ lucian @ c:irua:112707 Serial 84
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Author Partoens, B.; Peeters, F.M.
Title Artificial atoms and molecules Type A1 Journal article
Year 2002 Publication Physicalia magazine Abbreviated Journal
Volume 24 Issue (down) Pages 29
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Gent Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0770-0520 ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:62455 Serial 152
Permanent link to this record
 
 
Author Payette, C.; Austing, D.G.; Yu, G.; Gupta, J.A.; Nair, S.V.; Partoens, B.; Amaha, S.; Tarucha, S.
Title Branch current behavior at two level anti-crossings in vertical quantum dot single-particle spectra Type A1 Journal article
Year 2010 Publication AIP conference proceedings Abbreviated Journal
Volume 1199 Issue (down) Pages 271-272
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study single-electron-elastic-resonant-tunneling through two weakly coupled vertical quantum dots and investigate the branch current behavior at anti-crossings between two single-particle energy levels in the constituent dot spectra that are induced to approach each other by application of an out-of-dot-plane magnetic field. We observe both the familiar case of monotonic transfer of the resonant current strengths between the two branches as well as the less familiar case of concurrent enhancement and suppression (ideally complete cancellation) of the resonant current in the two branches. These two situations can be explained in terms of a simple coherent tunneling model. ©2009 American Institute of Physics
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Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos 000281590800127 Publication Date 2010-01-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:86923 Serial 254
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Author Nelissen, K.; Partoens, B.; Peeters, F.M.
Title Bubble, stripe, and ring phases in a two-dimensional cluster with competing interactions Type A1 Journal article
Year 2005 Publication Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics Abbreviated Journal Phys Rev E
Volume 71 Issue (down) Pages 066204,1-11
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000230275000049 Publication Date 2005-06-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1539-3755;1550-2376; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.366 Times cited 30 Open Access
Notes Approved Most recent IF: 2.366; 2005 IF: 2.418
Call Number UA @ lucian @ c:irua:62446 Serial 258
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Author Austing, D.G.; Payette, C.; Yu, G.; Gupta, J.A.; Aers, G.C.; Nair, S.V.; Partoens, B.; Amaha, S.; Tarucha, S.
Title Characterization and modeling of single-particle energy levels and resonant currents in a coherent quantum dot mixer Type P1 Proceeding
Year 2011 Publication AIP conference proceedings T2 – 30th International Conference on the Physics of Semiconductors (ICPS-30), JUL 25-30, 2010, Seoul, SOUTH KOREA Abbreviated Journal
Volume Issue (down) Pages 1-2
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract We characterize and model the single-particle energy level position and resonant current strength at a three-level crossing in a coherent mixer composed of two weakly coupled vertical quantum dots. In addition to clear anticrossing behavior, an otherwise strong resonance is completely extinguished at the center of the crossing. Despite the strong variation in energy level position and resonant current strength throughout the crossing region, the resonance widths and the sum of the branch currents are found to be approximately constant.
Address
Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos 000301053000453 Publication Date 2011-12-28
Series Editor Series Title Abbreviated Series Title
Series Volume 1399 Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes ; ; Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:113070 Serial 314
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Author Partoens, B.; Peeters, F.M.
Title Classical artificial two-dimensional atoms: the Thomson model Type A1 Journal article
Year 1997 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 9 Issue (down) Pages 5383-5393
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1997XH14500007 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 52 Open Access
Notes Approved Most recent IF: 2.649; 1997 IF: 1.479
Call Number UA @ lucian @ c:irua:19291 Serial 362
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Author Partoens, B.; Schweigert, V.A.; Peeters, F.M.
Title Classical double-layer atoms: artificial molecules Type A1 Journal article
Year 1997 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 79 Issue (down) Pages 3990-3993
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos A1997YF78600048 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited 49 Open Access
Notes Approved Most recent IF: 8.462; 1997 IF: 6.140
Call Number UA @ lucian @ c:irua:19280 Serial 364
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Author Peeters, F.M.; Partoens, B.; Kong, M.
Title The classical electron gas in artificial structures Type P3 Proceeding
Year 2004 Publication Abbreviated Journal
Volume Issue (down) Pages 235-250
Keywords P3 Proceeding; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher IOS Press Place of Publication Amsterdam 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:62457 Serial 365
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Author Peeters, F.M.; Partoens, B.; Schweigert, V.A.; Goldoni, G.
Title Classical molecules in two dimensions Type A1 Journal article
Year 1997 Publication Physica: E Abbreviated Journal Physica E
Volume 1 Issue (down) Pages 219-225
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000074364500047 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; WoS citing articles
Impact Factor 2.221 Times cited 5 Open Access
Notes Approved Most recent IF: 2.221; 1997 IF: NA
Call Number UA @ lucian @ c:irua:19300 Serial 368
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Author Partoens, B.; Peeters, F.M.
Title Density functional theory approach to artificial molecules Type P1 Proceeding
Year 2001 Publication Abbreviated Journal
Volume Issue (down) Pages 128-141
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York 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; WoS full record;
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:37300 Serial 636
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Author Li, B.; Slachmuylders, A.F.; Partoens, B.; Magnus, W.; Peeters, F.M.
Title Dielectric mismatch effect on shallow impurity states in a semiconductor nanowire Type A1 Journal article
Year 2008 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 77 Issue (down) Pages 115335,1-10
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000254542800131 Publication Date 2008-03-19
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 24 Open Access
Notes Approved Most recent IF: 3.836; 2008 IF: 3.322
Call Number UA @ lucian @ c:irua:69630 Serial 692
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Author Slachmuylders, A.; Partoens, B.; Magnus, W.; Peeters, F.M.
Title The effect of dielectric mismatch on excitons and trions in cylindrical semiconductor nanowires Type A1 Journal article
Year 2008 Publication Journal of computational electronics Abbreviated Journal J Comput Electron
Volume Issue (down) Pages
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication S.l. Editor
Language Wos 000208473800066 Publication Date 2008-02-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1569-8025;1572-8137; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.526 Times cited 2 Open Access
Notes Approved Most recent IF: 1.526; 2008 IF: NA
Call Number UA @ lucian @ c:irua:69620 Serial 808
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Author Avetisyan, A.A.; Partoens, B.; Peeters, F.M.
Title Electric field tuning of the band gap in four layers of graphene with different stacking order Type P1 Proceeding
Year 2012 Publication Proceedings of the Society of Photo-optical Instrumentation Engineers T2 – Conference on Photonics and Micro and Nano-structured Materials, JUN 28-30, 2011, Yerevan, ARMENIA Abbreviated Journal
Volume Issue (down) Pages 84140-84148
Keywords P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract We investigated the effect of different stacking order of the four graphene layer system on the induced band gap when positively charged top and negatively charged back gates are applied to the system. A tight-binding approach within a self-consistent Hartree approximation is used to calculate the induced charges on the different graphene layers. We show that the electric field does not open an energy gap if the multilayer graphene system contains a trilayer part with the ABA Bernal stacking.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000303856600012 Publication Date 2012-01-20
Series Editor Series Title Abbreviated Series Title
Series Volume 8414 Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), and the BelgianScience Policy (IAP). One of us (A.A.A.) was supported by a fellowship from the Belgian Federal Science Policy Office (BELSPO). ; Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:113046 Serial 886
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Author Maes, J.; Hayne, M.; Sidor, Y.; Partoens, B.; Peeters, F.M.; González, Y.; González, L.; Fuster, D.; Garcia, J.M.; Moshchalkov, V.V.
Title Electron wave-function spillover in self-assembled InAs/InP quantum wires Type A1 Journal article
Year 2004 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 70 Issue (down) Pages 155311,1-7
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000224855900053 Publication Date 2004-10-19
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 43 Open Access
Notes Approved Most recent IF: 3.836; 2004 IF: 3.075
Call Number UA @ lucian @ c:irua:62435 Serial 994
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Author Partoens, B.; Peeters, F.M.
Title Enhanced spin and isospin blockade in two vertically coupled quantum dots Type P1 Proceeding
Year 2001 Publication Abbreviated Journal
Volume Issue (down) Pages 1035-1036
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Springer Place of Publication Berlin 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; WoS full record;
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:37297 Serial 1054
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Author Szafran, B.; Chwiej, T.; Peeters, F.M.; Bednarek, S.; Adamowski, J.; Partoens, B.
Title Exciton and negative trion dissociation by an external electric field in vertically coupled quantum dots Type A1 Journal article
Year 2005 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 71 Issue (down) Pages 205316,1-12
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000230244300065 Publication Date 2005-05-26
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 54 Open Access
Notes Approved Most recent IF: 3.836; 2005 IF: 3.185
Call Number UA @ lucian @ c:irua:62439 Serial 1110
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Author Sidor, Y.; Partoens, B.; Peeters, F.M.; Maes, J.; Hayne, M.; Fuster, D.; González, Y.; González, L.; Moshchalkov, V.V.
Title Exciton confinement in InAs/InP quantum wires and quantum wells in the presence of a magnetic field Type A1 Journal article
Year 2007 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 76 Issue (down) Pages 195320,1-9
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000251326800092 Publication Date 2007-11-20
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 21 Open Access
Notes Approved Most recent IF: 3.836; 2007 IF: 3.172
Call Number UA @ lucian @ c:irua:69662 Serial 1111
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