Records |
Author |
Leenaerts, O.; Partoens, B.; Peeters, F.M.; Volodin, A.; van Haesendonck, C. |
Title |
The work function of few-layer graphene |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
|
Volume |
29 |
Issue |
3 |
Pages |
035003 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
A theoretical and experimental study of the work function of few-layer graphene is reported. The influence of the number of layers on the work function is investigated in the presence of a substrate, a molecular dipole layer, and combinations of the two. The work function of few-layer graphene is almost independent of the number of layers with only a difference between monolayer and multilayer graphene of about 60 meV. In the presence of a charge-donating substrate the charge distribution is found to decay exponentially away from the substrate and this is directly reflected in the work function of few-layer graphene. A dipole layer changes the work function only when placed in between the substrate and few-layer graphene through a change of the charge transfer between the two. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000425250600002 |
Publication Date |
2016-11-16 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
61 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:164938 |
Serial |
8760 |
Permanent link to this record |
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|
|
Author |
Van der Donck, M.; De Beule, C.; Partoens, B.; Peeters, F.M.; Van Duppen, B. |
Title |
Piezoelectricity in asymmetrically strained bilayer graphene |
Type |
A1 Journal article |
Year |
2016 |
Publication |
2D materials |
Abbreviated Journal |
2D Mater |
Volume |
3 |
Issue |
3 |
Pages |
035015 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We study the electronic properties of commensurate faulted bilayer graphene by diagonalizing the one-particle Hamiltonian of the bilayer system in a complete basis of Bloch states of the individual graphene layers. Our novel approach is very general and can be easily extended to any commensurate graphene-based heterostructure. Here, we consider three cases: (i) twisted bilayer graphene, (ii) bilayer graphene where triaxial stress is applied to one layer and (iii) bilayer graphene where uniaxial stress is applied to one layer. We show that the resulting superstructures can be divided into distinct classes, depending on the twist angle or the magnitude of the induced strain. The different classes are distinguished from each other by the interlayer coupling mechanism, resulting in fundamentally different low-energy physics. For the cases of triaxial and uniaxial stress, the individual graphene layers tend to decouple and we find significant charge transfer between the layers. In addition, this piezoelectric effect can be tuned by applying a perpendicular electric field. Finally, we show how our approach can be generalized to multilayer systems. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
IOP Publishing |
Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000384072500003 |
Publication Date |
2016-08-31 |
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 |
10 |
Open Access |
|
Notes |
; This work was supported by the Research Foundation-Flanders (FWO-Vl) through aspirant research grants to MVDD, CDB, and BVD. ; |
Approved |
Most recent IF: 6.937 |
Call Number |
UA @ lucian @ c:irua:137203 |
Serial |
4361 |
Permanent link to this record |
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Author |
Rønnow, T.F.; Pedersen, T.G.; Partoens, B.; Berthelsen, K.K. |
Title |
Variational quantum Monte Carlo study of charged excitons in fractional dimensional space |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
84 |
Issue |
3 |
Pages |
035316-035316,13 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
In this article we study excitons and trions in fractional dimensional spaces using the model suggested by C. Palmer [ J. Phys. A: Math. Gen. 37 6987 (2004)] through variational quantum Monte Carlo. We present a direct approach for estimating the exciton binding energy and discuss the von Neumann rejection- and Metropolis sampling methods. A simple variational estimate of trions is presented which shows good agreement with previous calculations done within the fractional dimensional model presented by D. R. Herrick and F. H. Stillinger [ Phys. Rev. A 11 42 (1975) and J. Math. Phys. 18 1224 (1977)]. We explain the spatial physics of the positive and negative trions by investigating angular and inter-atomic distances. We then examine the wave function and explain the differences between the positive and negative trions with heavy holes. As applications of the fractional dimensional model we study three systems: First we apply the model to estimate the energy of the hydrogen molecular ion H2+. Then we estimate trion binding energies in GaAs-based quantum wells and we demonstrate a good agreement with other theoretical work as well as experimentally observed binding energies. Finally, we apply the results to carbon nanotubes. We find good agreement with recently observed binding energies of the positively charged trion. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000293129200012 |
Publication Date |
2011-07-26 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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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 |
15 |
Open Access |
|
Notes |
; ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
Call Number |
UA @ lucian @ c:irua:91741 |
Serial |
3837 |
Permanent link to this record |
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|
|
Author |
Apolinario, S.W.S.; Partoens, B.; Peeters, F.M. |
Title |
Multiple rings in a 3D anisotropic Wigner crystal: structural and dynamical properties |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
77 |
Issue |
3 |
Pages |
035321,1-9 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000252862900102 |
Publication Date |
2008-01-16 |
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 |
17 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2008 IF: 3.322 |
Call Number |
UA @ lucian @ c:irua:67821 |
Serial |
2229 |
Permanent link to this record |
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|
|
Author |
Sabzalipour, A.; Partoens, B. |
Title |
Anomalous Hall effect in magnetic topological insulators : semiclassical framework |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
Volume |
100 |
Issue |
3 |
Pages |
035419 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The anomalous Hall effect (AHE) is studied on the surface of a 3D magnetic topological insulator. By applying a modified semiclassical framework, all three contributions to the AHE, the Berry curvature effect, the side jump effect and the skew scattering effects are systematically treated, and analytical expressions for the conductivities are obtained in terms of the Fermi level, the spatial orientation of the surface magnetization and the concentration of magnetic and nonmagnetic impurities. We demonstrate that the AHE can change sign by altering the orientation of the surface magnetization, the concentration of the impurities and also the position of the Fermi level, in agreement with recent experimental observations. We show how each contribution to the AHE, or even the whole AHE, can be turned off by properly adjusting the given parameters. For example, one can turn off the anomalous hall conductivity in a system with in-plane magnetization by pushing the system into the fully metallic regime. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000475499200007 |
Publication Date |
2019-07-15 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
2 |
Open Access |
|
Notes |
; ; |
Approved |
Most recent IF: 3.836 |
Call Number |
UA @ admin @ c:irua:161219 |
Serial |
5406 |
Permanent link to this record |
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|
|
Author |
Avetisyan, A.A.; Partoens, B.; Peeters, F.M. |
Title |
Electric field tuning of the band gap in graphene multilayers |
Type |
A1 Journal article |
Year |
2009 |
Publication |
Physical review : B : solid state |
Abbreviated Journal |
Phys Rev B |
Volume |
79 |
Issue |
3 |
Pages |
035421,1-035421,7 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
A perpendicular electric field applied to multilayers of graphene modifies the electronic structure near the K point and may induce an energy gap in the electronic spectrum. This gap is tunable by the gate voltage and its size depends on the number of layers. We use a tight-binding approach to calculate the band structure and include a self-consistent calculation in order to obtain the density of charge carriers. Results are presented for systems consisting of three and four layers of graphene. The effect of the circular asymmetry of the band structure on the gap is critically examined. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000262978200119 |
Publication Date |
2009-01-30 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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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 |
106 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2009 IF: 3.475 |
Call Number |
UA @ lucian @ c:irua:75984 |
Serial |
887 |
Permanent link to this record |
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|
|
Author |
Leenaerts, O.; Sahin, H.; Partoens, B.; Peeters, F.M. |
Title |
First-principles investigation of B- and N-doped fluorographene |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
88 |
Issue |
3 |
Pages |
035434-35435 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The effect of substitutional doping of fluorographene with boron and nitrogen atoms on its electronic and magnetic properties is investigated using first-principles calculations. It is found that boron dopants can be readily incorporated in the fluorographene crystal where they act as shallow acceptors and cause hole doping, but no changes in the magnetic properties are observed. Nitrogen dopants act as deep donors and give rise to a magnetic moment, but the resulting system becomes chemically unstable. These results are opposite to what was found for substitutional doping of graphane, i.e., hydrogenated graphene, in which case B substituents induce magnetism and N dopants do not. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000322083700002 |
Publication Date |
2013-07-22 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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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 |
16 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program of the Flemish government. H.S. is supported by a FWO Pegasus-long Marie Curie Fellowship. Computational resources were provided by TUBITAK ULAKBIM, 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. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:109807 |
Serial |
1210 |
Permanent link to this record |
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|
|
Author |
Dixit, H.; Lamoen, D.; Partoens, B. |
Title |
Quasiparticle band structure of rocksalt-CdO determined using maximally localized Wannier functions |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
Volume |
25 |
Issue |
3 |
Pages |
035501-35505 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
Abstract |
CdO in the rocksalt structure is an indirect band gap semiconductor. Thus, in order to determine its band gap one needs to calculate the complete band structure. However, in practice, the exact evaluation of the quasiparticle band structure for the large number of k-points which constitute the different symmetry lines in the Brillouin zone can be an extremely demanding task compared to the standard density functional theory (DFT) calculation. In this paper we report the full quasiparticle band structure of CdO using a plane-wave pseudopotential approach. In order to reduce the computational effort and time, we make use of maximally localized Wannier functions (MLWFs). The MLWFs offer a highly accurate method for interpolation of the DFT or GW band structure from a coarse k-point mesh in the irreducible Brillouin zone, resulting in a much reduced computational effort. The present paper discusses the technical details of the scheme along with the results obtained for the quasiparticle band gap and the electron effective mass. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000313100500010 |
Publication Date |
2012-12-12 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.649 |
Times cited |
7 |
Open Access |
|
Notes |
Fwo |
Approved |
Most recent IF: 2.649; 2013 IF: 2.223 |
Call Number |
UA @ lucian @ c:irua:105296 |
Serial |
2801 |
Permanent link to this record |
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|
|
Author |
Kong, M.; Partoens, B.; Matulis, A.; Peeters, F.M. |
Title |
Structure and spectrum of two-dimensional clusters confined in a hard wall potential |
Type |
A1 Journal article |
Year |
2004 |
Publication |
Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics |
Abbreviated Journal |
Phys Rev E |
Volume |
69 |
Issue |
|
Pages |
036412,1-10 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
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Wos |
000220729400077 |
Publication Date |
2004-04-01 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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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 |
42 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.366; 2004 IF: NA |
Call Number |
UA @ lucian @ c:irua:62442 |
Serial |
3298 |
Permanent link to this record |
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|
|
Author |
Peelaers, H.; Partoens, B.; Tatyanenko, D.V.; Peeters, F.M. |
Title |
Dynamics of scattering on a classical two-dimensional artificial atom |
Type |
A1 Journal article |
Year |
2007 |
Publication |
Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics |
Abbreviated Journal |
Phys Rev E |
Volume |
75 |
Issue |
3 |
Pages |
036606,1-8 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
A classical two-dimensional (2D) model for an artificial atom is used to make a numerical exact study of elastic and nonelastic scattering. Interesting differences in the scattering angle distribution between this model and the well-known Rutherford scattering are found in the small energy and/or small impact parameter scattering regime. For scattering off a classical 2D hydrogen atom different phenomena such as ionization, exchange of particles, and inelastic scattering can occur. A scattering regime diagram is constructed as function of the impact parameter (b) and the initial velocity (v) of the incoming particle. In a small regime of the (b,v) space the system exhibits chaos, which is studied in more detail. Analytic expressions for the scattering angle are given in the high impact parameter asymptotic limit. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000245324700062 |
Publication Date |
2007-03-14 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
ISSN |
1539-3755;1550-2376; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.366 |
Times cited |
1 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.366; 2007 IF: 2.483 |
Call Number |
UA @ lucian @ c:irua:64290 |
Serial |
782 |
Permanent link to this record |
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Author |
Van Boxem, R.; Verbeeck, J.; Partoens, B. |
Title |
Spin effects in electron vortex states |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Europhysics letters |
Abbreviated Journal |
Epl-Europhys Lett |
Volume |
102 |
Issue |
4 |
Pages |
40010-40016 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
Abstract |
The recent experimental realization of electron vortex beams opens up a wide research domain previously unexplored. The present paper explores the relativistic properties of these electron vortex beams, and quantifies deviations from the scalar wave theory. It is common in electron optics to use the Schrodinger equation neglecting spin. The present paper investigates the role of spin and the total angular momentum J(z) and how it pertains to the vortex states. As an application, we also investigate if it is possible to use holographic reconstruction to create novel total angular momentum eigenstates in a transmission electron microscope. It is demonstrated that relativistic spin coupling effects disappear in the paraxial limit, and spin effects in holographically created electron vortex beams can only be exploited by using specialized magnetic apertures. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Paris |
Editor |
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Language |
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Wos |
000321118600011 |
Publication Date |
2013-06-11 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
ISSN |
0295-5075;1286-4854; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.957 |
Times cited |
11 |
Open Access |
|
Notes |
312483 Esteem2; N246791 Countatoms; 278510 Vortex; esteem2jra1; esteem2jra3 ECASJO_; |
Approved |
Most recent IF: 1.957; 2013 IF: 2.269 |
Call Number |
UA @ lucian @ c:irua:109852 |
Serial |
3087 |
Permanent link to this record |
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Author |
Peelaers, H.; Partoens, B.; Giantomassi, M.; Rangel, T.; Goossens, E.; Rignanese, G.-M.; Gonze, X.; Peeters, F.M. |
Title |
Convergence of quasiparticle band structures of Si and Ge nanowires in the GW approximation and the validity of scissor shifts |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
83 |
Issue |
4 |
Pages |
045306-045306,6 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Starting from fully converged density-functional theory calculations, the quasiparticle corrections are calculated for different sized Si and Ge nanowires using the GW approximation. The effectiveness of recently developed techniques in speeding up the convergence of the quasiparticle calculations is demonstrated. The complete quasiparticle band structures are also obtained using an interpolation technique based on maximallylocalized Wannier functions. From the quasiparticle results, we assess the correctness of the commonly applied scissor-shift correction. Dispersion changes are observed, which are also reflected in changes in the effective band masses calculated taking into account quasiparticle corrections. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000286771400004 |
Publication Date |
2011-01-21 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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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 |
18 |
Open Access |
|
Notes |
; We are grateful to Yann Pouillon for valuable technical support with the build system of ABINIT, related to the WANNIER90 library. This work was supported by the Flemish Science Foundation (FWO-Vl) and by the Interuniversity Attraction Poles Program (P6/42)-Belgian State-Belgian Science Policy. X. G. and G.-M. R. acknowledge funding from the EU's 7th Framework Programme through the ETSF I3 e-Infrastructure project (Grant No. 211956), the Communaute francaise de Belgique through the Action de Recherche Concertee 07/12-003 “Nanosystemes hybrides metal-organiques,” and the Wallon Region Project No. 816849 “ European Theoretical Spectroscopy Facility” (WALL ETSF). M. G. acknowledges funding from the FRFC Project No. 2.4.589.09.F. ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
Call Number |
UA @ lucian @ c:irua:86905 |
Serial |
510 |
Permanent link to this record |
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Author |
Castelano, L.K.; Hai, G.-Q.; Partoens, B.; Peeters, F.M. |
Title |
Artificial molecular quantum rings: spin density functional theory calculations |
Type |
A1 Journal article |
Year |
2006 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
74 |
Issue |
4 |
Pages |
045313,1-5 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000239426800075 |
Publication Date |
2006-07-18 |
Series Editor |
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Series Title |
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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; 2006 IF: 3.107 |
Call Number |
UA @ lucian @ c:irua:60089 |
Serial |
154 |
Permanent link to this record |
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Author |
Janssen, G.; Goovaerts, E.; Bouwen, A.; Partoens, B.; van Daele, B.; Zurauskiene, N.; Koenraad, P.M.; Wolter, J.H. |
Title |
Observation of cyclotron resonance in an InAs/GaAs wetting layer with shallowly formed quantum dots |
Type |
A1 Journal article |
Year |
2003 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
68 |
Issue |
|
Pages |
045329,1-6 |
Keywords |
A1 Journal article; Nanostructured and organic optical and electronic materials (NANOrOPT); Condensed Matter Theory (CMT) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000185239600080 |
Publication Date |
2003-08-01 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
10 |
Open Access |
|
Notes |
FWO G.0110.96 and G.0409.02; IAP-V |
Approved |
Most recent IF: 3.836; 2003 IF: NA |
Call Number |
UA @ lucian @ c:irua:43316 |
Serial |
2416 |
Permanent link to this record |
|
|
|
Author |
Rønnow, T.F.; Pedersen, T.G.; Partoens, B. |
Title |
Biexciton binding energy in fractional dimensional semiconductors |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
85 |
Issue |
4 |
Pages |
045412-045412,7 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Biexcitons in fractional dimensional spaces are studied using variational quantum Monte Carlo. We investigate the biexciton binding energy as a function of the electron-hole mass fraction sigma as well as study the dimensional dependence of biexcitons for sigma = 0 and sigma = 1. As our first application of this model we treat the H(2) molecule in two and three dimensions. Next we investigate biexcitons in carbon nanotubes within the fractional dimensional model. To this end we find a relation between the nanotube radius and the effective dimension. The results of both applications are compared with results obtained using different models and we find a reasonable agreement. Within the fractional dimensional model we find that the biexciton binding energy in carbon nanotubes accurately scales as E(B)(r,epsilon) = 1280 meV angstrom/(r epsilon), as a function of radius r and the dielectric screening epsilon. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000298922200008 |
Publication Date |
2012-01-06 |
Series Editor |
|
Series Title |
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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; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:96234 |
Serial |
231 |
Permanent link to this record |
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|
|
Author |
Sahin, H.; Sivek, J.; Li, S.; Partoens, B.; Peeters, F.M. |
Title |
Stone-Wales defects in silicene : formation, stability, and reactivity of defect sites |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
88 |
Issue |
4 |
Pages |
045434-45436 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
During the synthesis of ultrathin materials with hexagonal lattice structure Stone-Wales (SW) type of defects are quite likely to be formed and the existence of such topological defects in the graphenelike structures results in dramatic changes of their electronic and mechanical properties. Here we investigate the formation and reactivity of such SW defects in silicene. We report the energy barrier for the formation of SW defects in freestanding (similar to 2.4 eV) and Ag(111)-supported (similar to 2.8 eV) silicene and found it to be significantly lower than in graphene (similar to 9.2 eV). Moreover, the buckled nature of silicene provides a large energy barrier for the healing of the SW defect and therefore defective silicene is stable even at high temperatures. Silicene with SW defects is semiconducting with a direct band gap of 0.02 eV and this value depends on the concentration of defects. Furthermore, nitrogen substitution in SW-defected silicene shows that the defect lattice sites are the least preferable substitution locations for the N atoms. Our findings show the easy formation of SW defects in silicene and also provide a guideline for band gap engineering in silicene-based materials through such defects. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
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Editor |
|
Language |
|
Wos |
000322113300007 |
Publication Date |
2013-07-23 |
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 |
93 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. H.S. is supported by a FWO Pegasus Marie Curie Fellowship. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:109805 |
Serial |
3162 |
Permanent link to this record |
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|
|
Author |
Couet, S.; Peelaers, H.; Trekels, M.; Houben, K.; Petermann, C.; Hu, M.Y.; Zhao, J.Y.; Bi, W.; Alp, E.E.; Menéndez, E.; Partoens, B.; Peeters, F.M.; Van Bael, M.J.; Vantomme, A.; Temst, K.; |
Title |
Interplay between lattice dynamics and superconductivity in Nb3Sn thin films |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
88 |
Issue |
4 |
Pages |
045437-7 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We investigate the link between superconductivity and atomic vibrations in Nb3Sn films with a thickness ranging from 10 to 50 nm. The challenge of measuring the phonon density of states (PDOS) of these films has been tackled by employing the technique of nuclear inelastic scattering by Sn-119 isotopes to reveal the Sn-partial phonon density of states. With the support of ab initio calculations, we evaluate the effect of reduced film thickness on the PDOS. This approach allows us to estimate the changes in superconducting critical temperature T-c induced by phonon confinement, which turned out to be limited to a few tenths of K. The presented method is successful for the Nb3Sn system and paves the way for more systematic studies of the role of phonon confinement in Sn-containing superconductors. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
|
Language |
|
Wos |
000322529900004 |
Publication Date |
2013-07-27 |
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 |
5 |
Open Access |
|
Notes |
; The authors would like to cordially thank Dr. Rudolf Ruffer from the nuclear resonant scattering group of the ESRF for the support and gratefully acknowledge the ESRF for providing beamtime for the preliminary phonon study. S. C., K. H., and E. M. thank the Flemish Science Foundation (FWO-Vl) for their personal fellowship. This work was supported by FWO-Vl, the Methusalem program of the Flemish government, and the Concerted Research Action program (GOA/09/ 006) and (GOA/14/007). Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:109801 |
Serial |
1702 |
Permanent link to this record |
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|
Author |
Becker, T.; Nelissen, K.; Cleuren, B.; Partoens, B.; Van den Broeck, C. |
Title |
Comment on “Generalized exclusion processes : transport coefficients” |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Physical review E |
Abbreviated Journal |
Phys Rev E |
Volume |
93 |
Issue |
93 |
Pages |
046101 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
In a recent paper, Arita et al. [Phys. Rev. E 90, 052108 (2014)] consider the transport properties of a class of generalized exclusion processes. Analytical expressions for the transport-diffusion coefficient are derived by ignoring correlations. It is claimed that these expressions become exact in the hydrodynamic limit. In this Comment,we point out that (i) the influence of correlations upon the diffusion does not vanish in the hydrodynamic limit, and (ii) the expressions for the self- and transport diffusion derived by Arita et al. are special cases of results derived in Becker et al. [Phys. Rev. Lett. 111, 110601 (2013)]. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
|
Language |
|
Wos |
000374962100019 |
Publication Date |
2016-04-25 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2470-0045;2470-0053; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.366 |
Times cited |
3 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.366 |
Call Number |
UA @ lucian @ c:irua:141060 |
Serial |
4591 |
Permanent link to this record |
|
|
|
Author |
Apolinario, S.W.S.; Partoens, B.; Peeters, F.M. |
Title |
Structure and spectrum of anisotropically confined two-dimensional clusters with logarithmic interaction |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics |
Abbreviated Journal |
Phys Rev E |
Volume |
72 |
Issue |
|
Pages |
046122,1-7 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We studied the structural and spectral properties of a classical system consisting of a finite number of particles, moving in two dimensions, and interacting through a repulsive logarithmic potential and held together by an anisotropic harmonic potential. Increasing the anisotropy of the confinement potential can drive the system from a two-dimensional (2D) to a one-dimensional (1D) configuration. This change occurs through a sequence of structural transitions of first and second order which are reflected in the normal mode frequencies. Our results of the ground state configurations are compared with recent experiments and we obtained a satisfactory agreement. The transition from the 1D line structure to the 2D structure occurs through a zigzag transition which is of second order. We found analytical expressions for the eigenfrequencies before the zigzag transition, which allowed us to obtain an analytical expression for the anisotropy parameter at which the zigzag transition occurs as a function of the number of particles in the system. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
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Wos |
000232931200034 |
Publication Date |
2005-10-18 |
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 |
22 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.366; 2005 IF: 2.418 |
Call Number |
UA @ lucian @ c:irua:62448 |
Serial |
3295 |
Permanent link to this record |
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|
|
Author |
Kong, M.; Partoens, B.; Peeters, F.M. |
Title |
Transition between ground state and metastable states in classical two-dimensional atoms |
Type |
A1 Journal article |
Year |
2002 |
Publication |
Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics |
Abbreviated Journal |
Phys Rev E |
Volume |
65 |
Issue |
4 |
Pages |
046602,1-13 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000175146600036 |
Publication Date |
2002-07-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1063-651X;1095-3787; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.366 |
Times cited |
51 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.366; 2002 IF: 2.397 |
Call Number |
UA @ lucian @ c:irua:62440 |
Serial |
3697 |
Permanent link to this record |
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|
|
Author |
Nelissen, K.; Partoens, B.; Peeters, F.M. |
Title |
Influence of a defect particle on the structure of a classical two-dimensional cluster |
Type |
A1 Journal article |
Year |
2004 |
Publication |
Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics |
Abbreviated Journal |
Phys Rev E |
Volume |
69 |
Issue |
|
Pages |
046605,1-6 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000221253000064 |
Publication Date |
2004-04-16 |
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 |
27 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.366; 2004 IF: NA |
Call Number |
UA @ lucian @ c:irua:62443 |
Serial |
1611 |
Permanent link to this record |
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|
|
Author |
Kong, M.; Vagov, A.; Partoens, B.; Peeters, F.M.; Ferreira, W.P.; Farias, G.A. |
Title |
Nonlinear screening in large two-dimensional Coulomb clusters |
Type |
A1 Journal article |
Year |
2004 |
Publication |
Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics |
Abbreviated Journal |
Phys Rev E |
Volume |
70 |
Issue |
|
Pages |
051807,1-6 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000225970500071 |
Publication Date |
2004-11-22 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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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 |
4 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.366; 2004 IF: NA |
Call Number |
UA @ lucian @ c:irua:62444 |
Serial |
2358 |
Permanent link to this record |
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|
|
Author |
Peelaers, H.; Hernández-Nieves, A.D.; Leenaerts, O.; Partoens, B.; Peeters, F.M. |
Title |
Vibrational properties of graphene fluoride and graphane |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
98 |
Issue |
5 |
Pages |
051914 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The vibrational properties of graphene fluoride and graphane are studied using ab initio calculations. We find that both sp(3) bonded derivatives of graphene have different phonon dispersion relations and phonon densities of states as expected from the different masses associated with the attached atoms of fluorine and hydrogen, respectively. These differences manifest themselves in the predicted temperature behavior of the constant-volume specific heat of both compounds. (C) 2011 American Institute of Physics. [doi:10.1063/1.3551712] |
Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000286988400027 |
Publication Date |
2011-02-02 |
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 |
66 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-V1), the Belgian Science Policy (IAP), and the collaborative project FWO-MINCyT (Contract No. FW /08/01). A.D.H.-N. is also supported by ANPCyT (under Grant No. PICT2008-2236) ; |
Approved |
Most recent IF: 3.411; 2011 IF: 3.844 |
Call Number |
UA @ lucian @ c:irua:105604 |
Serial |
3844 |
Permanent link to this record |
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|
Author |
Becker, T.; Nelissen, K.; Cleuren, B.; Partoens, B.; Van den Broeck, C. |
Title |
Diffusion of interacting particles in discrete geometries: Equilibrium and dynamical properties |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical review : E : statistical, nonlinear, and soft matter physics |
Abbreviated Journal |
Phys Rev E |
Volume |
90 |
Issue |
5 |
Pages |
052139 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We expand on a recent study of a lattice model of interacting particles [Phys. Rev. Lett. 111, 110601 (2013)]. The adsorption isotherm and equilibrium fluctuations in particle number are discussed as a function of the interaction. Their behavior is similar to that of interacting particles in porous materials. Different expressions for the particle jump rates are derived from transition-state theory. Which expression should be used depends on the strength of the interparticle interactions. Analytical expressions for the self-and transport diffusion are derived when correlations, caused by memory effects in the environment, are neglected. The diffusive behavior is studied numerically with kinetic Monte Carlo (kMC) simulations, which reproduces the diffusion including correlations. The effect of correlations is studied by comparing the analytical expressions with the kMC simulations. It is found that the Maxwell-Stefan diffusion can exceed the self-diffusion. To our knowledge, this is the first time this is observed. The diffusive behavior in one-dimensional and higher-dimensional systems is qualitatively the same, with the effect of correlations decreasing for increasing dimension. The length dependence of both the self-and transport diffusion is studied for one-dimensional systems. For long lengths the self-diffusion shows a 1/L dependence. Finally, we discuss when agreement with experiments and simulations can be expected. The assumption that particles in different cavities do not interact is expected to hold quantitatively at low and medium particle concentrations if the particles are not strongly interacting. |
Address |
|
Corporate Author |
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Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
Woodbury (NY) |
Editor |
|
Language |
|
Wos |
000345251500004 |
Publication Date |
2014-12-04 |
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 |
8 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (Fonds Wetenschappelijk Onderzoek), Project No. G.0388.11. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government, Department EWI. ; |
Approved |
Most recent IF: 2.366; 2014 IF: 2.288 |
Call Number |
UA @ lucian @ c:irua:122134 |
Serial |
700 |
Permanent link to this record |
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|
Author |
Govaerts, K.; Sluiter, M.H.F.; Partoens, B.; Lamoen, D. |
Title |
Homologous series of layered structures in binary and ternary Bi-Sb-Te-Se systems : ab initio study |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
89 |
Issue |
5 |
Pages |
054106-54109 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
Abstract |
In order to account explicitly for the existence of long-periodic layered structures and the strong structural relaxations in the most common binary and ternary alloys of the Bi-Sb-Te-Se system, we have developed a one-dimensional cluster expansion (CE) based on first-principles electronic structure calculations, which accounts for the Bi and Sb bilayer formation. Excellent interlayer distances are obtained with a van der Waals density functional. It is shown that a CE solely based on pair interactions is sufficient to provide an accurate description of the ground-state energies of Bi-Sb-Te-Se binary and ternary systems without making the data set of ab initio calculated structures unreasonably large. For the binary alloys A1−xQx (A=Sb, Bi; Q=Te, Se), a ternary CE yields an almost continuous series of (meta)stable structures consisting of consecutive A bilayers next to consecutive A2Q3 for 0<x<0.6. For x>0.6, the binary alloy segregates into pure Q and A2Q3. The Bi-Sb system is described by a quaternary CE and is found to be an ideal solid solution stabilized by entropic effects at T≠0 K but with an ordered structure of alternating Bi and Sb layers for x=0.5 at T=0 K. A quintuple CE is used for the ternary Bi-Sb-Te system, where stable ternary layered compounds with an arbitrary stacking of Sb2Te3, Bi2Te3, and Te-Bi-Te-Sb-Te quintuple units are found, optionally separated by mixed Bi/Sb bilayers. Electronic properties of the stable compounds were studied taking spin-orbit coupling into account. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000332420900001 |
Publication Date |
2014-03-05 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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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 |
5 |
Open Access |
|
Notes |
Fwo; Hercules |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:114910 |
Serial |
1487 |
Permanent link to this record |
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|
|
Author |
Shi, W.; Callewaert, V.; Barbiellini, B.; Saniz, R.; Butterling, M.; Egger, W.; Dickmann, M.; Hugenschmidt, C.; Shakeri, B.; Meulenberg, R. W.; Brück, E.; Partoens, B.; Bansil, A.; Eijt, S.W. H. |
Title |
Nature of the Positron State in CdSe Quantum Dots |
Type |
A1 Journal article |
Year |
2018 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
Volume |
121 |
Issue |
5 |
Pages |
057401 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Previous studies have shown that positron-annihilation spectroscopy is a highly sensitive probe of the electronic structure and surface composition of ligand-capped semiconductor quantum dots (QDs) embedded in thin films. The nature of the associated positron state, however, whether the positron is confined inside the QDs or localized at their surfaces, has so far remained unresolved. Our positron-annihilation lifetime spectroscopy studies of CdSe QDs reveal the presence of a strong lifetime component in the narrow range of 358–371 ps, indicating abundant trapping and annihilation of positrons at the surfaces of the QDs. Furthermore, our ab initio calculations of the positron wave function and lifetime employing a recent formulation of the weighted density approximation demonstrate the presence of a positron surface state and predict positron lifetimes close to experimental values. Our study thus resolves the long-standing question regarding the nature of the positron state in semiconductor QDs and opens the way to extract quantitative information on surface composition and ligand-surface interactions of colloidal semiconductor QDs through highly sensitive positron-annihilation techniques. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
|
Language |
|
Wos |
000440635300012 |
Publication Date |
2018-08-02 |
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 |
6 |
Open Access |
|
Notes |
The work at Delft University of Technology was supported by the China Scholarship Council (CSC) grant of W. S. We acknowledge financial support for this research from ADEM, A green Deal in Energy Materials of the Ministry of Economic Affairs of The Netherlands. The PALS study is based upon experiments performed at the PLEPS instrument of the NEPOMUC facility at the Heinz Maier-Leibnitz Zentrum (MLZ), Garching, Germany, and was supported by the European Commission under the 7th Framework Program, Key Action: Strengthening the European Research Area, Research Infrastructures, Contract No. 226507, NMI3. The work at the University of Maine was supported by the National Science Foundation under Grant No. DMR-1206940. V. C. and R. S. were supported by the FWO-Vlaanderen through Project No. G. 0224.14N. Computational resources and services used in this work were in part 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 (EWI Department). The work at Northeastern University was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences Grant No. DE-FG02-07ER46352 (core research), and benefited from Northeastern University’s Advanced Scientific Computation Center (ASCC), the National Energy Research Scientific Computing Center (NERSC) through DOE Grant No. DE-AC02-05CH11231, and support (functionals for modeling positron spectros- copies of layered materials) from the DOE EFRC: Center for the Computational Design of Functional Layered Materials (CCDM) under DE-SC0012575. |
Approved |
Most recent IF: 8.462 |
Call Number |
CMT @ cmt @c:irua:152999UA @ admin @ c:irua:152999 |
Serial |
5009 |
Permanent link to this record |
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|
|
Author |
Dixit, H.; Tandon, N.; Cottenier, S.; Saniz, R.; Lamoen, D.; Partoens, B. |
Title |
Erratum : First-principles study of possible shallow donors in ZnAl2O4 spinel [Phys. Rev. B 87, 174101 (2013)] |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
88 |
Issue |
5 |
Pages |
059905-2 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
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Language |
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Wos |
000323572600009 |
Publication Date |
2013-08-27 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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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 |
1 |
Open Access |
|
Notes |
; ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:110015 |
Serial |
1080 |
Permanent link to this record |
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|
Author |
Van der Donck, M.; Conti, S.; Perali, A.; Hamilton, A.R.; Partoens, B.; Peeters, F.M.; Neilson, D. |
Title |
Three-dimensional electron-hole superfluidity in a superlattice close to room temperature |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
Volume |
102 |
Issue |
6 |
Pages |
060503 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Although there is strong theoretical and experimental evidence for electron-hole superfluidity in separated sheets of electrons and holes at low T, extending superfluidity to high T is limited by strong two-dimensional fluctuations and Kosterlitz-Thouless effects. We show this limitation can be overcome using a superlattice of alternating electron- and hole-doped semiconductor monolayers. The superfluid transition in a three-dimensional superlattice is not topological, and for strong electron-hole pair coupling, the transition temperature T-c can be at room temperature. As a quantitative illustration, we show T-c can reach 270 K for a superfluid in a realistic superlattice of transition metal dichalcogenide monolayers. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000562320700001 |
Publication Date |
2020-08-25 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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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 |
8 |
Open Access |
|
Notes |
; This work was supported by the Research Foundation of Flanders (FWO-Vl) through an aspirant research grant for M.V.d.D., by the FLAG-ERA project TRANS-2D-TMD, and by the Australian Government through the Australian Research Council Centre of Excellence in Future Low-Energy Electronics (Project No. CE170100039). We thank Milorad V. Milossevi ' c, Pierbiagio Pieri, and Jacques Tempere for helpful discussions. ; |
Approved |
Most recent IF: 3.7; 2020 IF: 3.836 |
Call Number |
UA @ admin @ c:irua:172064 |
Serial |
6628 |
Permanent link to this record |
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Author |
Tomecka, D.; Partoens, B.; Peeters, F.M. |
Title |
Multistep radial melting in small two-dimensional classical clusters |
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 |
|
Pages |
062401,1-4 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We report on a molecular dynamics study of small classical two-dimensional clusters with ringlike configurations. We focus on the particles motion at low temperatures before the radial and angular melting sets in. It is shown that in magic number configurations a local radial melting of subshells occur, which is related to the intershell rotation. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000230274500084 |
Publication Date |
2005-06-23 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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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 |
11 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.366; 2005 IF: 2.418 |
Call Number |
UA @ lucian @ c:irua:62447 |
Serial |
2241 |
Permanent link to this record |
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|
Author |
Dixit, H.; Tandon, N.; Cottenier, S.; Saniz, R.; Lamoen, D.; Partoens, B.; van Speybroeck, V.; Waroquier, M. |
Title |
Electronic structure and band gap of zinc spinel oxides beyond LDA : ZnAl2O4, ZnGa2O4 and ZnIn2O4 |
Type |
A1 Journal article |
Year |
2011 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
Volume |
13 |
Issue |
6 |
Pages |
063002-063002,11 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
Abstract |
We examine the electronic structure of the family of ternary zinc spinel oxides ZnX2O4 (X=Al, Ga and In). The band gap of ZnAl2O4 calculated using density functional theory (DFT) is 4.25 eV and is overestimated compared with the experimental value of 3.83.9 eV. The DFT band gap of ZnGa2O4 is 2.82 eV and is underestimated compared with the experimental value of 4.45.0 eV. Since DFT typically underestimates the band gap in the oxide system, the experimental measurements for ZnAl2O4 probably require a correction. We use two first-principles techniques capable of describing accurately the excited states of semiconductors, namely the GW approximation and the modified BeckeJohnson (MBJ) potential approximation, to calculate the band gap of ZnX2O4. The GW and MBJ band gaps are in good agreement with each other. In the case of ZnAl2O4, the predicted band gap values are >6 eV, i.e. ~2 eV larger than the only reported experimental value. We expect future experimental work to confirm our results. Our calculations of the electron effective masses and the second band gap indicate that these compounds are very good candidates to act as transparent conducting host materials. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000292137500002 |
Publication Date |
2011-06-03 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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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 |
98 |
Open Access |
|
Notes |
Iwt; Fwo; Bof-Noi |
Approved |
Most recent IF: 3.786; 2011 IF: 4.177 |
Call Number |
UA @ lucian @ c:irua:89555 |
Serial |
1008 |
Permanent link to this record |