|   | 
Details
   web
Records
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 (down) Phys Rev E
Volume 69 Issue Pages 046605,1-6
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author 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
 

 
Author Nelissen, K.; Partoens, B.; Peeters, F.M.
Title Influence of an ellipsoid on the angular order in a two-dimensional cluster Type A1 Journal article
Year 2011 Publication Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics Abbreviated Journal (down) Phys Rev E
Volume 84 Issue 3 Pages 031405,1-031405,6
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The influence of an ellipsoid on the angular order of two-dimensional classical clusters is investigated through Brownian dynamics simulations. We found the following: (1) The presence of an ellipsoid does not influence the start of the angular melting, but reduces the rate at which the inner rings can rotate with respect to each other. (2) Even a small eccentricity of the ellipsoid leads to a stabilization of the angular order of the system. (3) Depending on the position of the ellipsoid in the cluster, a reentrant behavior in the angular order is observed before full radial melting of the cluster sets in. (4) The ellipsoid can lead to a two-step angular melting process: First, the rotation of the inner rings with respect to each other is hindered by the ellipsoid, but on further increasing the kinetic energy of the system, the ellipsoid just starts to behave as a spherical particle with different mobility. The effect of an ellipsoid on the molten system does not depend crucially on the interparticle interaction, but a softer parabolic confinement reduces the angular stabilization.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000296495000007 Publication Date 2011-09-20
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
Impact Factor 2.366 Times cited Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and CNPq. ; Approved Most recent IF: 2.366; 2011 IF: 2.255
Call Number UA @ lucian @ c:irua:93612 Serial 1615
Permanent link to this record
 

 
Author Apolinario, S.W.S.; Partoens, B.; Peeters, F.M.
Title Inhomogeneous melting in anisotropically confined two-dimensional clusters Type A1 Journal article
Year 2006 Publication Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics Abbreviated Journal (down) Phys Rev E
Volume 74 Issue 3 Pages 031107,1-11
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000240870100019 Publication Date 2006-09-12
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 25 Open Access
Notes Approved Most recent IF: 2.366; 2006 IF: 2.438
Call Number UA @ lucian @ c:irua:60998 Serial 1668
Permanent link to this record
 

 
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 (down) 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
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000230274500084 Publication Date 2005-06-23
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 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
 

 
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 (down) Phys Rev E
Volume 70 Issue Pages 051807,1-6
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000225970500071 Publication Date 2004-11-22
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 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
 

 
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 (down) Phys Rev E
Volume 73 Issue 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
Permanent link to this record
 

 
Author Ferreira, W.P.; Partoens, B.; Peeters, F.M.; Farias, G.A.
Title Structural phase transitions and unusual melting behavior in a classical two-dimensional Coulomb bound cluster Type A1 Journal article
Year 2005 Publication Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics Abbreviated Journal (down) Phys Rev E
Volume 71 Issue Pages 021501,1-4
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000228245700023 Publication Date 2005-02-09
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 Approved Most recent IF: 2.366; 2005 IF: 2.418
Call Number UA @ lucian @ c:irua:62445 Serial 3251
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 (down) 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
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language 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
 

 
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 (down) Phys Rev E
Volume 69 Issue Pages 036412,1-10
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000220729400077 Publication Date 2004-04-01
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 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
 

 
Author Kong, M.; Partoens, B.; Peeters, F.M.
Title Topological defects and nonhomogeneous melting of large two-dimensional Coulomb clusters Type A1 Journal article
Year 2003 Publication Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics Abbreviated Journal (down) Phys Rev E
Volume 67 Issue 2 Pages 021608,1-8
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000181520200051 Publication Date 2003-02-28
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 45 Open Access
Notes Approved Most recent IF: 2.366; 2003 IF: 2.202
Call Number UA @ lucian @ c:irua:62441 Serial 3677
Permanent link to this record
 

 
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 (down) Phys Rev E
Volume 65 Issue 4 Pages 046602,1-13
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author 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
 

 
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 (down) 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
Corporate Author Thesis
Publisher Place of Publication 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 Čukarić, N.A.; Tadić, M.Z.; Partoens, B.; Peeters, F.M.
Title 30-band k\cdot p model of electron and hole states in silicon quantum wells Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal (down) Phys Rev B
Volume 88 Issue 20 Pages 205306
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We modeled the electron and hole states in Si/SiO2 quantum wells within a basis of standing waves using the 30-band k . p theory. The hard-wall confinement potential is assumed, and the influence of the peculiar band structure of bulk silicon on the quantum-well sub-bands is explored. Numerous spurious solutions in the conduction-band and valence-band energy spectra are found and are identified to be of two types: (1) spurious states which have large contributions of the bulk solutions with large wave vectors (the high-k spurious solutions) and (2) states which originate mainly from the spurious valley outside the Brillouin zone (the extravalley spurious solutions). An algorithm to remove all those nonphysical solutions from the electron and hole energy spectra is proposed. Furthermore, slow and oscillatory convergence of the hole energy levels with the number of basis functions is found and is explained by the peculiar band mixing and the confinement in the considered quantum well. We discovered that assuming the hard-wall potential leads to numerical instability of the hole states computation. Nonetheless, allowing the envelope functions to exponentially decay in a barrier of finite height is found to improve the accuracy of the computed hole states.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000327161500007 Publication Date 2013-11-20
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 10 Open Access
Notes ; This work was supported by the Ministry of Education, Science, and Technological Development of Serbia, the Belgian Science Policy (IAP), the Flemish fund for Scientific Research (FWO-Vl), and the Methusalem programme of the Flemish government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number UA @ lucian @ c:irua:112704 Serial 18
Permanent link to this record
 

 
Author Sivek, J.; Sahin, H.; Partoens, B.; Peeters, F.M.
Title Adsorption and absorption of boron, nitrogen, aluminum, and phosphorus on silicene : stability and electronic and phonon properties Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal (down) Phys Rev B
Volume 87 Issue 8 Pages 085444-85448
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Ab initio calculations within the density-functional theory formalism are performed to investigate the chemical functionalization of a graphene-like monolayer of siliconsilicenewith B, N, Al, or P atoms. The structural, electronic, magnetic, and vibrational properties are reported. The most preferable adsorption sites are found to be valley, bridge, valley and hill sites for B, N, Al, and P adatoms, respectively. All the relaxed systems with adsorbed/substituted atoms exhibit metallic behavior with strongly bonded B, N, Al, and P atoms accompanied by an appreciable electron transfer from silicene to the B, N, and P adatom/substituent. The Al atoms exhibit opposite charge transfer, with n-type doping of silicene and weaker bonding. The adatoms/substituents induce characteristic branches in the phonon spectrum of silicene, which can be probed by Raman measurements. Using molecular dynamics, we found that the systems under study are stable up to at least T=500 K. Our results demonstrate that silicene has a very reactive and functionalizable surface.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000315482900007 Publication Date 2013-02-27
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 169 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:107071 Serial 60
Permanent link to this record
 

 
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 (down) Phys Rev B
Volume 77 Issue 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
Permanent link to this record
 

 
Author Szumniak, P.; Bednarek, S.; Pawlowski, J.; Partoens, B.
Title All-electrical control of quantum gates for single heavy-hole spin qubits Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal (down) Phys Rev B
Volume 87 Issue 19 Pages 195307-195312
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract In this paper several nanodevices which realize basic single heavy-hole qubit operations are proposed and supported by time-dependent self-consistent Poisson-Schrodinger calculations using a four band heavy-hole-light-hole model. In particular we propose a set of nanodevices which can act as Pauli X, Y, Z quantum gates and as a gate that acts similar to a Hadamard gate (i.e., it creates a balanced superposition of basis states but with an additional phase factor) on the heavy-hole spin qubit. We also present the design and simulation of a gated semiconductor nanodevice which can realize an arbitrary sequence of all these proposed single quantum logic gates. The proposed devices exploit the self-focusing effect of the hole wave function which allows for guiding the hole along a given path in the form of a stable solitonlike wave packet. Thanks to the presence of the Dresselhaus spin-orbit coupling, the motion of the hole along a certain direction is equivalent to the application of an effective magnetic field which induces in turn a coherent rotation of the heavy-hole spin. The hole motion and consequently the quantum logic operation is initialized only by weak static voltages applied to the electrodes which cover the nanodevice. The proposed gates allow for an all electric and ultrafast (tens of picoseconds) heavy-hole spin manipulation and give the possibility to implement a scalable architecture of heavy-hole spin qubits for quantum computation applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000319252200003 Publication Date 2013-05-21
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 14 Open Access
Notes ; This work was supported by the Polish National Science Center (Grant No. DEC-2011/03/N/ST3/02963), as well as by the “Krakow Interdisciplinary PhD-Project in Nanoscience and Advanced Nanostructures” operated within the Foundation for Polish Science MPD Programme, co-financed by the European Regional Development Fund. This research was supported in part by PL-Grid Infrastructure. ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number UA @ lucian @ c:irua:109002 Serial 88
Permanent link to this record
 

 
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 (down) Phys Rev B
Volume 74 Issue 4 Pages 045313,1-5
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000239426800075 Publication Date 2006-07-18
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 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
 

 
Author Matsubara, M.; Amini, M.N.; Saniz, R.; Lamoen, D.; Partoens, B.
Title Attracting shallow donors : hydrogen passivation in (Al,Ga,In)-doped ZnO Type A1 Journal article
Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal (down) Phys Rev B
Volume 86 Issue 16 Pages 165207
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract The hydrogen interstitial and the substitutional AlZn, GaZn, and InZn are all shallow donors in ZnO and lead to n-type conductivity. Although shallow donors are expected to repel each other, we show by first-principles calculations that in ZnO these shallow donor impurities attract and form a complex, leading to a donor level deep in the band gap. This puts a limit on the n-type conductivity of (Al,Ga,In)-doped ZnO in the presence of hydrogen.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000310131300008 Publication Date 2012-10-22
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 7 Open Access
Notes Iwt; Fwo; Bof-Noi Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:101780 Serial 202
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 (down) 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
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000298922200008 Publication Date 2012-01-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 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
 

 
Author Payette, C.; Amaha, S.; Yu, G.; Gupta, J.A.; Austing, D.G.; Nair, S.V.; Partoens, B.; Tarucha, S.
Title Coherent level mixing in dot energy spectra measured by magnetoresonant tunneling spectroscopy of vertical quantum dot molecules Type A1 Journal article
Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal (down) Phys Rev B
Volume 81 Issue 24 Pages 245310,1-245310,15
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study by magnetoresonant tunneling spectroscopy single-particle energy spectra of the constituent weakly coupled dots in vertical quantum dot molecules over a wide energy window. The measured energy spectra are well modeled by calculated spectra for dots with in-plane confinement potentials that are elliptical and parabolic in form. However, in the regions where two, three, or four single-particle energy levels are naively expected to cross, we observe pronounced level anticrossing behavior and strong variations in the resonant currents as a consequence of coherent mixing induced by small deviations in the nearly ideal dot confinement potentials. We present detailed analysis of the energy spectra, and focus on two examples of three-level crossings whereby the coherent mixing leads to concurrent suppression and enhancement of the resonant currents when the anticrossing levels are minimally separated. The suppression of resonant current is of particular interest since it is a signature of dark state formation due to destructive interference. We also describe in detail and compare two measurement strategies to reliably extract the resonant currents required to characterize the level mixing.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000278606100003 Publication Date 2010-06-10
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 6 Open Access
Notes ; We thank A. Bezinger, D. Roth, and M. Malloy for assistance with some of the processing, and K. Ono, T. Kodera, T. Hatano, Y. Tokura, M. Stopa, M. Hilke, G.C. Aers, M. Korkusinski, and R. M. Abolfath for useful discussions. Part of this work is supported by NSERC (Discovery Grant No. 208201), Flemish Science Foundation (FWO-VI), Grant-in-Aid for Scientific Research S (Grant No. 191040070), B (Grant No. 18340081), and by Special Coordination Funds for Promoting Science and Technology, and MEXT. S.T. acknowledges support from QuEST program (BAA-0824). ; Approved Most recent IF: 3.836; 2010 IF: 3.774
Call Number UA @ lucian @ c:irua:83095 Serial 379
Permanent link to this record
 

 
Author Saniz, R.; Partoens, B.; Peeters, F.M.
Title Confinement effects on electron and phonon degrees of freedom in nanofilm superconductors : a Green function approach Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal (down) Phys Rev B
Volume 87 Issue 6 Pages 064510-64513
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The Green function approach to the Bardeen-Cooper-Schrieffer theory of superconductivity is used to study nanofilms. We go beyond previous models and include effects of confinement on the strength of the electron-phonon coupling as well as on the electronic spectrum and on the phonon modes. Within our approach, we find that in ultrathin films, confinement effects on the electronic screening become very important. Indeed, contrary to what has been advanced in recent years, the sudden increases of the density of states when new bands start to be occupied as the film thickness increases, tend to suppress the critical temperature rather than to enhance it. On the other hand, the increase of the number of phonon modes with increasing number of monolayers in the film leads to an increase in the critical temperature. As a consequence, the superconducting critical parameters in such nanofilms are determined by these two competing effects. Furthermore, in sufficiently thin films, the condensate consists of well-defined subcondensates associated with the occupied bands, each with a distinct coherence length. The subcondensates can interfere constructively or destructively giving rise to an interference pattern in the Cooper pair probability density.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000315374100009 Publication Date 2013-02-25
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 6 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl). R.S. thanks M. R. Norman, B. Soree, and L. Komendova for useful comments. ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number UA @ lucian @ c:irua:107072 Serial 487
Permanent link to this record
 

 
Author Castelano, L.K.; Hai, G.-Q.; Partoens, B.; Peeters, F.M.
Title Control of the persistent currents in two interacting quantum rings through the Coulomb interaction and interring tunneling Type A1 Journal article
Year 2008 Publication Physical review : B : solid state Abbreviated Journal (down) Phys Rev B
Volume 78 Issue 19 Pages 195315,1-195315,4
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The persistent current in two vertically coupled quantum rings containing few electrons is studied. We find that the Coulomb interaction between the rings in the absence of tunneling affects the persistent current in each ring and the ground-state configurations. Quantum tunneling between the rings alters significantly the ground state and the persistent current in the system.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000262607800074 Publication Date 2008-11-19
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 28 Open Access
Notes Approved Most recent IF: 3.836; 2008 IF: 3.322
Call Number UA @ lucian @ c:irua:76020 Serial 500
Permanent link to this record
 

 
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 (down) 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
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000286771400004 Publication Date 2011-01-21
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 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
 

 
Author Li, B.; Partoens, B.; Peeters, F.M.; Magnus, W.
Title Dielectric mismatch effect on coupled shallow impurity states in a semiconductor nanowire Type A1 Journal article
Year 2009 Publication Physical review : B : solid state Abbreviated Journal (down) Phys Rev B
Volume 79 Issue 8 Pages 085306,1-085306,7
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Coupled shallow impurity states in a freestanding semiconductor nanowire and in a semiconductor nanowire surrounded by a metallic gate are studied within the effective-mass approximation. Bonding and antibonding states are found due to the coupling of the two impurities, and their energy converges with increasing distance di between the two impurities. The dependences of the binding energy on the wire radius R, the distance di between the two impurities, and the impurity radial position in the nanowire are examined.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000263816000051 Publication Date 2009-02-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 11 Open Access
Notes Approved Most recent IF: 3.836; 2009 IF: 3.475
Call Number UA @ lucian @ c:irua:76223 Serial 691
Permanent link to this record
 

 
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 (down) Phys Rev B
Volume 77 Issue 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
Permanent link to this record
 

 
Author Slachmuylders, A.F.; Partoens, B.; Magnus, W.; Peeters, F.M.
Title Dielectric mismatch effect on the exciton states in cylindrical nanowires Type A1 Journal article
Year 2006 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal (down) Phys Rev B
Volume 74 Issue 23 Pages 235321,1-8
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000243195700080 Publication Date 2006-12-20
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 39 Open Access
Notes Approved Most recent IF: 3.836; 2006 IF: 3.107
Call Number UA @ lucian @ c:irua:62178 Serial 693
Permanent link to this record
 

 
Author Govaerts, K.; Park, K.; De Beule, C.; Partoens, B.; Lamoen, D.
Title Effect of Bi bilayers on the topological states of Bi2Se3 : a first-principles study Type A1 Journal article
Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal (down) Phys Rev B
Volume 90 Issue 15 Pages 155124
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract Bi2Se3 is a three-dimensional topological insulator which has been extensively studied because it has a single Dirac cone on the surface, inside a relatively large bulk band gap. However, the effect of two-dimensional topological insulator Bi bilayers on the properties of Bi2Se3 and vice versa, has not been explored much. Bi bilayers are often present between the quintuple layers of Bi2Se3, since (Bi2)n(Bi2Se3)m form stable ground-state structures. Moreover, Bi2Se3 is a good substrate for growing ultrathin Bi bilayers. By first-principles techniques, we first show that there is no preferable surface termination by either Bi or Se. Next, we investigate the electronic structure of Bi bilayers on top of, or inside a Bi2Se3 slab. If the Bi bilayers are on top, we observe a charge transfer to the quintuple layers that increases the binding energy of the surface Dirac cones. The extra states, originating from the Bi bilayers, were declared to form a topological Dirac cone, but here we show that these are ordinary Rashba-split states. This result, together with the appearance of a new Dirac cone that is localized slightly deeper, might necessitate the reinterpretation of several experimental results. When the Bi bilayers are located inside the Bi2Se3 slab, they tend to split the slab into two topological insulators with clear surface states. Interface states can also be observed, but an energy gap persists because of strong coupling between the neighboring quintuple layers and the Bi bilayers.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000343773200001 Publication Date 2014-10-20
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 30 Open Access
Notes ; We gratefully acknowledge financial support from the Research Foundation – Flanders (FWO-Vlaanderen). K.G. thanks the University of Antwerp for a Ph.D. fellowship. C.D.B. is an aspirant of the Flemish Science Foundation. This work was carried out using the HPC infrastructure at the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC, supported financially by the Hercules Foundation and the Flemish Government (EWI Department). K.P. was supported by U.S. National Science Foundation Grant No. DMR-1206354. ; Approved Most recent IF: 3.836; 2014 IF: 3.736
Call Number UA @ lucian @ c:irua:119527 Serial 800
Permanent link to this record
 

 
Author Janssens, K.L.; Partoens, B.; Peeters, F.M.
Title Effect of strain on the magnetoexciton ground state in InP/GaxIn1-xP quantum disks Type A1 Journal article
Year 2003 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal (down) Phys Rev B
Volume 67 Issue 23 Pages 235325,1-8
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000184040700063 Publication Date 2003-06-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 23 Open Access
Notes Approved Most recent IF: 3.836; 2003 IF: NA
Call Number UA @ lucian @ c:irua:62432 Serial 837
Permanent link to this record
 

 
Author Avetisyan, A.A.; Partoens, B.; Peeters, F.M.
Title Electric-field control of the band gap and Fermi energy in graphene multilayers by top and back gates Type A1 Journal article
Year 2009 Publication Physical review : B : solid state Abbreviated Journal (down) Phys Rev B
Volume 80 Issue 19 Pages 195401,1-195401,11
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract It is known that 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 which is tunable by the gate voltage. Here we consider a system of graphene multilayers in the presence of a positively charged top and a negatively charged back gate to control independently the density of electrons on the graphene layers and the Fermi energy of the system. The band structure of three- and four-layer graphene systems in the presence of the top and back gates is obtained using a tight-binding approach. A self-consistent Hartree approximation is used to calculate the induced charges on the different graphene layers. We predict that for opposite and equal charges on the top and bottom layers an energy gap is opened at the Fermi level. For an even number of layers this gap is larger than in the case of an odd number of graphene layers. We find that the circular asymmetry of the spectrum, which is a consequence of the trigonal warping, changes the size of the induced electronic gap, even when the total density of the induced electrons on the graphene layers is low.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000272311000087 Publication Date 2009-11-10
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 106 Open Access
Notes Approved Most recent IF: 3.836; 2009 IF: 3.475
Call Number UA @ lucian @ c:irua:80315 Serial 883
Permanent link to this record
 

 
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 (down) 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
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000262978200119 Publication Date 2009-01-30
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 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