| Records |
| Author |
Milton Pereira, J.; Vasilopoulos, P.; Peeters, F.M. |
| Title |
Tunable quantum dots in bilayer graphene |
Type |
A1 Journal article |
| Year |
2007 |
Publication |
Nano letters |
Abbreviated Journal |
Nano Lett |
| Volume |
7 |
Issue |
4 |
Pages  |
946-949 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Washington |
Editor |
|
| Language |
|
Wos |
000245600500017 |
Publication Date |
2007-03-13 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1530-6984;1530-6992; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
12.712 |
Times cited |
167 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 12.712; 2007 IF: 9.627 |
| Call Number |
UA @ lucian @ c:irua:64118 |
Serial |
3745 |
| Permanent link to this record |
| |
|
| |
| Author |
Austing, D.G.; Payette, C.; Nair, S.V.; Yu, G.; Gupta, J.A.; Partoens, B.; Amaha, S.; Tarucha, S. |
| Title |
Scheme for coherently quenching resonant current in a three-level quantum dot energy level mixer |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Physica status solidi: C: conferences and critical reviews |
Abbreviated Journal |
|
| Volume |
6 |
Issue |
4 |
Pages |
940-943 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We outline a scheme to create a dark state by three-level mixing that is potentially a useful tool for quantum coherent transport. Magnetic-field-induced intra-dot level mixing can lead to rich quantum superposition phenomena between three approaching single-particle states in a quantum dot when probed by the ground state of an adjacent weakly coupled quantum dot in the single-electron resonant tunnelling regime. The mixing relies on non-negligible anharmonicity and anisotropy in confining potentials of realistic quantum dots. Anti-crossing and transfer of strengths between resonances can be understood with a simple coherent level mixing model. Superposition can lead to the formation of a dark state by complete cancellation of an otherwise strong resonance. This is an all-electrical analogue of coherent population trapping seen in three-level-systems from quantum and atom optics. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Berlin |
Editor |
|
| Language |
|
Wos |
000266597600040 |
Publication Date |
2008-12-12 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1862-6351;1610-1642; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:86927 |
Serial |
2953 |
| Permanent link to this record |
| |
|
| |
| Author |
Misko, V.R.; Lin, N.S.; Peeters, F.M. |
| Title |
Unconventional dynamics of vortex shells in mesoscopic superconducting corbino disks |
Type |
A1 Journal article |
| Year |
2010 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
| Volume |
470 |
Issue |
19 |
Pages |
939-941 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The dynamics of vortex matter in mesoscopic superconducting Corbino disk is strongly influenced by the discrete vortex structure arranged in shells. While in previous works the vortex dynamics has been studied in large (macroscopic) and in very small mesoscopic disks (containing only few shells), in the intermediate-size regime it is much more complex and unusual, due to: (i) the competition between the vortexvortex interaction and confinement and (ii) (in)commensurability among the vortex shells. We found that the interplay between these effects can result in a very unusual vortex dynamical behavior: (i) unconventional angular melting (i.e., propagating from the boundary, where the shear stress is minimum, towards the center) and (ii) unconventional dynamics of shells (i.e., the inversion of shell velocities with respect to the gradient driving force). This unusual behavior is found for different number of shells. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000282454400059 |
Publication Date |
2010-03-04 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0921-4534; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.404 |
Times cited |
3 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 1.404; 2010 IF: 1.415 |
| Call Number |
UA @ lucian @ c:irua:85036 |
Serial |
3799 |
| Permanent link to this record |
| |
|
| |
| Author |
Castelano, L.K.; Hai, G.Q.; Partoens, B.; Peeters, F.M. |
| Title |
Two vertically coupled quantum rings with tunneling |
Type |
A1 Journal article |
| Year |
2006 |
Publication |
Brazilian journal of physics |
Abbreviated Journal |
Braz J Phys |
| Volume |
36 |
Issue |
3b |
Pages |
936-939 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
São Paulo |
Editor |
|
| Language |
|
Wos |
000242535600036 |
Publication Date |
2006-12-13 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0103-9733; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
0.732 |
Times cited |
2 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 0.732; 2006 IF: 0.494 |
| Call Number |
UA @ lucian @ c:irua:62133 |
Serial |
3788 |
| Permanent link to this record |
| |
|
| |
| Author |
Croitoru, M.D.; van Dyck, D.; Van Aert, S.; Bals, S.; Verbeeck, J. |
| Title |
An efficient way of including thermal diffuse scattering in simulation of scanning transmission electron microscopic images |
Type |
A1 Journal article |
| Year |
2006 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
| Volume |
106 |
Issue |
10 |
Pages |
933-940 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Vision lab |
| Abstract |
We propose an improved image simulation procedure for atomic-resolution annular dark-field scanning transmission electron microscopy (STEM) based on the multislice formulation, which takes thermal diffuse scattering fully into account. The improvement with regard to the classical frozen phonon approach is realized by separating the lattice configuration statistics from the dynamical scattering so as to avoid repetitive calculations. As an example, the influence of phonon scattering on the image contrast is calculated and investigated. STEM image simulation of crystals can be applied with reasonable computing times to problems involving a large number of atoms and thick or large supercells. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000240397200006 |
Publication Date |
2006-05-10 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0304-3991; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.843 |
Times cited |
18 |
Open Access |
|
| Notes |
Fwo; Fwo-V |
Approved |
Most recent IF: 2.843; 2006 IF: 1.706 |
| Call Number |
UA @ lucian @ c:irua:87604UA @ admin @ c:irua:87604 |
Serial |
876 |
| Permanent link to this record |
| |
|
| |
| Author |
Jalali, H.; Khoeini, F.; Peeters, F.M.; Neek-Amal, M. |
| Title |
Hydration effects and negative dielectric constant of nano-confined water between cation intercalated MXenes |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
| Volume |
13 |
Issue |
2 |
Pages |
922-929 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
Using electrochemical methods a profound enhancement of the capacitance of electric double layer capacitor electrodes was reported when water molecules are strongly confined into the two-dimensional slits of titanium carbide MXene nanosheets [A. Sugahara et al., Nat. Commun., 2019, 10, 850]. We study the effects of hydration on the dielectric properties of nanoconfined water and supercapacitance properties of the cation intercalated MXene. A model for the electric double layer capacitor is constructed where water molecules are strongly confined in two-dimensional slits of MXene. We report an abnormal dielectric constant and polarization of nano-confined water between MXene layers. We found that by decreasing the ionic radius of the intercalated cations and in a critical hydration shell radius the capacitance of the system increases significantly (similar or equal to 200 F g(-1)) which can be interpreted as a negative permittivity. This study builds a bridge between the fundamental understanding of the dielectric properties of nanoconfined water and the capability of using MXene films for supercapacitor technology, and in doing so provides a solid theoretical support for recent experiments. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000610368100035 |
Publication Date |
2020-12-08 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2040-3364 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
7.367 |
Times cited |
3 |
Open Access |
Not_Open_Access |
| Notes |
; ; |
Approved |
Most recent IF: 7.367 |
| Call Number |
UA @ admin @ c:irua:176141 |
Serial |
6690 |
| Permanent link to this record |
| |
|
| |
| Author |
Galvan Moya, J.E.; Nelissen, K.; Peeters, F.M. |
| Title |
Structural ordering of self-assembled clusters with competing interactions : transition from faceted to spherical clusters |
Type |
A1 Journal article |
| Year |
2015 |
Publication |
Langmuir: the ACS journal of surfaces and colloids |
Abbreviated Journal |
Langmuir |
| Volume |
31 |
Issue |
31 |
Pages |
917-924 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The self-assembly of nanoparticles into clusters and the effect of the different parameters of the competing interaction potential on it are investigated. For a small number of particles, the structural organization of the clusters is almost unaffected by the attractive part of the potential, and for an intermediate number of particles the configuration strongly depends on the strength of it. The cluster size is controlled by the range of the interaction potential, and the structural arrangement is guided by the strength of the potential: i.e., the self-assembled cluster transforms from a faceted configuration at low strength to a spherical shell-like structure at high strength. Nonmonotonic behavior of the cluster size is found by increasing the interaction range. An approximate analytical expression is obtained that predicts the smallest cluster for a specific set of potential parameters. A Mendeleev-like table is constructed for different values of the strength and range of the attractive part of the potential in order to understand the structural ordering of the ground-state configuration of the self-assembled clusters. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| Language |
|
Wos |
000348689700005 |
Publication Date |
2014-12-30 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0743-7463;1520-5827; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.833 |
Times cited |
4 |
Open Access |
|
| Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem programme of the Flemish government. Computational resources were provided by the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC). ; |
Approved |
Most recent IF: 3.833; 2015 IF: 4.457 |
| Call Number |
c:irua:125292 |
Serial |
3243 |
| Permanent link to this record |
| |
|
| |
| Author |
Karapetrov, G.; Belkin, A.; Iavarone, M.; Fedor, J.; Novosad, V.; Milošević, M.V.; Peeters, F.M. |
| Title |
Anisotropic superconductivity and vortex dynamics in magnetically coupled F/S and F/S/F hybrids |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Journal of superconductivity and novel magnetism |
Abbreviated Journal |
J Supercond Nov Magn |
| Volume |
24 |
Issue |
1/2 |
Pages |
905-910 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Magnetically coupled superconductorferromagnet hybrids offer advanced routes for nanoscale control of superconductivity. Magnetotransport characteristics and scanning tunneling microscopy images of vortex structures in superconductorferromagnet hybrids reveal rich superconducting phase diagrams. Focusing on a particular combination of a ferromagnet with a well-ordered periodic magnetic domain structure with alternating out-of-plane component of magnetization, and a small coherence length superconductor, we find directed nucleation of superconductivity above the domain wall boundaries. We show that near the superconductor-normal state phase boundary the superconductivity is localized in narrow mesoscopic channels. In order to explore the Abrikosov flux line ordering in F/S hybrids, we use a combination of scanning tunneling microscopy and GinzburgLandau simulations. The magnetic stripe domain structure induces periodic local magnetic induction in the superconductor, creating a series of pinninganti-pinning channels for externally added magnetic flux quanta. Such laterally confined Abrikosov vortices form quasi-1D arrays (chains). The transitions between multichain states occur through propagation of kinks at the intermediate fields. At high fields we show that the system becomes nonlinear due to a change in both the number of vortices and the confining potential. In F/S/F hybrids we demonstrate the evolution of the anisotropic conductivity in the superconductor that is magnetically coupled with two adjacent ferromagnetic layers. Stripe magnetic domain structures in both F-layers are aligned under each other, resulting in a directional superconducting order parameter in the superconducting layer. The conductance anisotropy strongly depends on the period of the magnetic domains and the strength of the local magnetization. The anisotropic conductivity of up to three orders of magnitude can be achieved with a spatial critical temperature modulation of 5% of T c. Induced anisotropic properties in the F/S and F/S/F hybrids have a potential for future application in switching and nonvolatile memory elements operating at low temperatures. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000289855700150 |
Publication Date |
2010-10-01 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1557-1939;1557-1947; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.18 |
Times cited |
2 |
Open Access |
|
| Notes |
; This work as well as the use of the Center for Nanoscale Materials and the Electron Microscopy Center at Argonne National Laboratory were supported by UChicago Argonne, LLC, Operator of Argonne National Laboratory (“Argonne”). Argonne, a U.S. Department of Energy Office of Science laboratory, is operated under Contract No. DE-AC02-06CH11357. This work was also supported by the Ministry of Education, Agency for Structural Funds of the European Union, Research and Development Program, under agreement 262 401 200 19. M.V.M. and F. M. P. acknowledge support from the Flemish Science Foundation (FWO-VI), the Belgian Science Policy, the JSPS/ESF-NES program, the ESF-AQDJJ network, and the Vlaanderen-USA bilateral program. ; |
Approved |
Most recent IF: 1.18; 2011 IF: 0.650 |
| Call Number |
UA @ lucian @ c:irua:89930 |
Serial |
130 |
| Permanent link to this record |
| |
|
| |
| Author |
Ibrahim, I.S.; Schweigert, V.A.; Peeters, F.M. |
| Title |
Electrical transport through magnetic barriers |
Type |
A1 Journal article |
| Year |
1998 |
Publication |
Physica. E: Low-dimensional systems and nanostructures |
Abbreviated Journal |
Physica E |
| Volume |
2 |
Issue |
|
Pages |
899-903 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
North-Holland |
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000075383500184 |
Publication Date |
2002-07-25 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1386-9477; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
2.221 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.221; 1998 IF: NA |
| Call Number |
UA @ lucian @ c:irua:24187 |
Serial |
896 |
| Permanent link to this record |
| |
|
| |
| Author |
Bals, S.; Van Aert, S.; Romero, C.P.; Lauwaet, K.; Van Bael, M.J.; Schoeters, B.; Partoens, B.; Yuecelen, E.; Lievens, P.; Van Tendeloo, G. |
| Title |
Atomic scale dynamics of ultrasmall germanium clusters |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Nature communications |
Abbreviated Journal |
Nat Commun |
| Volume |
3 |
Issue |
897 |
Pages |
897 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
| Abstract |
Starting from the gas phase, small clusters can be produced and deposited with huge flexibility with regard to composition, materials choice and cluster size. Despite many advances in experimental characterization, a detailed morphology of such clusters is still lacking. Here we present an atomic scale observation as well as the dynamical behaviour of ultrasmall germanium clusters. Using quantitative scanning transmission electron microscopy in combination with ab initio calculations, we are able to characterize the transition between different equilibrium geometries of a germanium cluster consisting of less than 25 atoms. Seven-membered rings, trigonal prisms and some smaller subunits are identified as possible building blocks that stabilize the structure. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000306099900024 |
Publication Date |
2012-06-12 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2041-1723; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
12.124 |
Times cited |
90 |
Open Access |
|
| Notes |
Fwo; Iap; Iwt |
Approved |
Most recent IF: 12.124; 2012 IF: 10.015 |
| Call Number |
UA @ lucian @ c:irua:100340 |
Serial |
183 |
| Permanent link to this record |
| |
|
| |
| Author |
Connolly, M.R.; Bemding, S.J.; Milošević, M.V.; Clem, J.R.; Tamegai, T. |
| Title |
Continuum versus discrete flux behaviour in large mesoscopic Bi2Sr2CaCu2O8+\delta disks |
Type |
A1 Journal article |
| Year |
2010 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
| Volume |
470 |
Issue |
S:1 |
Pages |
S896-S897 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We have used scanning Hall probe and local Hall magnetometry measurements to map flux profiles in superconducting Bi2Sr2CaCu2O8+δ disks whose diameters span the crossover between the bulk and mesoscopic vortex regimes. The behaviour of large disks (greater-or-equal, slanted20 μm diameter) is well described by analytic models that assume a continuous distribution of flux in the sample. Small disks (less-than-or-equals, slant10 μm diameter), on the other hand, exhibit clear signatures of the underlying discrete vortex structure as well as competition between triangular Abrikosov ordering and the formation of shell structures driven by interactions with circulating edge currents. At low fields we are able to directly observe the characteristic mesoscopic compression of vortex clusters which is linked to oscillations in the diameter of the vortex dome in increasing magnetic fields. At higher fields, where single vortex resolution is lost, we are still able to track configurational changes in the vortex patterns, since competing vortex orders impose unmistakable signatures on local magnetisation curves. Our observations are in excellent agreement with molecular-dynamics numerical simulations which lead us to a natural definition of the lengthscale for the crossover between discrete and continuum behaviour in our system. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000286075700384 |
Publication Date |
2009-11-20 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0921-4534; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
1.404 |
Times cited |
|
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 1.404; 2010 IF: 1.415 |
| Call Number |
UA @ lucian @ c:irua:88069 |
Serial |
494 |
| Permanent link to this record |
| |
|
| |
| Author |
Vansant, P.; Smondyrev, M.A.; Peeters, F.M.; Devreese, J.T. |
| Title |
Excited states of the one-dimensional bipolaron in the strong coupling limit |
Type |
A3 Journal article |
| Year |
1994 |
Publication |
Bulletin of the American Physical Society |
Abbreviated Journal |
|
| Volume |
39 |
Issue |
|
Pages |
889 |
| Keywords |
A3 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| Language |
|
Wos |
|
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0003-0503 |
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ lucian @ c:irua:20365 |
Serial |
1109 |
| Permanent link to this record |
| |
|
| |
| Author |
Tadic; Peeters, F.M. |
| Title |
Electronic structure of the valence band in cylindrical strained InP/InGaP quantum dots in an external magnetic field |
Type |
A1 Journal article |
| Year |
2002 |
Publication |
Physica. E: Low-dimensional systems and nanostructures
T2 – 14th International Conference on the Electronic Properties of, Two-Dimensional Systems, July 30-August 03, 2001, Prague, Czech Republic |
Abbreviated Journal |
Physica E |
| Volume |
12 |
Issue |
1-4 |
Pages |
880-883 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The multiband effective-mass model of cylindrical self-assembled quantum dots in a magnetic field normal to the layer of the quantum dots is presented. The strain distribution is computed by the valence force field method. The strain-dependent multiband Hamiltonian is modified into an axially symmetric form, which commutes with the total angular momentum F-2 = fh. where f denotes the total magnetic quantum number. The heavy hole and the light hole parts in the mixed hole state are resolved. It is found that the heavy hole component dominates in the ground states for both f = 1/2 and 3/2. The electronic structure exhibits numerous anticrossings between the hole levels. The Zeeman splitting between the +\f\ and -\f\ states is also computed. (C) 2002 Elsevier Science B.V. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
North-Holland |
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000175206300217 |
Publication Date |
2002-10-15 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1386-9477; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.221 |
Times cited |
1 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.221; 2002 IF: 1.107 |
| Call Number |
UA @ lucian @ c:irua:95138 |
Serial |
1016 |
| Permanent link to this record |
| |
|
| |
| Author |
van Dyck, D.; Van Aert, S.; Croitoru, M. |
| Title |
Atomic resolution electron tomography: a dream? |
Type |
A1 Journal article |
| Year |
2006 |
Publication |
International journal of materials research |
Abbreviated Journal |
Int J Mater Res |
| Volume |
97 |
Issue |
7 |
Pages |
872-879 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Vision lab |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000239916700003 |
Publication Date |
2013-12-09 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1862-5282;2195-8556; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
0.681 |
Times cited |
6 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 0.681; 2006 IF: NA |
| Call Number |
UA @ lucian @ c:irua:60965 |
Serial |
176 |
| Permanent link to this record |
| |
|
| |
| Author |
de Backer, J.W.; Vos, W.G.; Gorlé, C.D.; Germonpré, P.; Partoens, B.; Wuyts, F.L.; Parizel, P.M.; de Backer, W. |
| Title |
Flow analyses in the lower airways: patient-specific model and boundary conditions |
Type |
A1 Journal article |
| Year |
2008 |
Publication |
Medical engineering and physics |
Abbreviated Journal |
Med Eng Phys |
| Volume |
30 |
Issue |
7 |
Pages |
872-879 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP) |
| Abstract |
Computational fluid dynamics (CFD) is increasingly applied in the respiratory domain. The ability to simulate the flow through a bifurcating tubular system has increased the insight into the internal flow dynamics and the particular characteristics of respiratory flows such as secondary motions and inertial effects. The next step in the evolution is to apply the technique to patient-specific cases, in order to provide more information about pathological airways. This study presents a patient-specific approach where both the geometry and the boundary conditions (BC) are based on individual imaging methods using computed tomography (CT). The internal flow distribution of a 73-year-old female suffering from chronic obstructive pulmonary disease (COPD) is assessed. The validation is performed through the comparison of lung ventilation with gamma scintigraphy. The results show that in order to obtain agreement within the accuracy limits of the gamma scintigraphy scan, both the patient-specific geometry and the BC (driving pressure) play a crucial role. A minimal invasive test (CT scan) supplied enough information to perform an accurate CFD analysis. In the end it was possible to capture the pathological features of the respiratory system using the imaging and computational fluid dynamics techniques. This brings the introduction of this new technique in the clinical practice one step closer. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000259768300009 |
Publication Date |
2007-12-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1350-4533; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.819 |
Times cited |
82 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.819; 2008 IF: 2.216 |
| Call Number |
UA @ lucian @ c:irua:71693 |
Serial |
1224 |
| Permanent link to this record |
| |
|
| |
| Author |
Romaguera, A.R. de C.; Doria, M.M.; Peeters, F.M. |
| Title |
Vortex patterns in a superconducting-ferromagnetic rod |
Type |
A1 Journal article |
| Year |
2010 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
| Volume |
470 |
Issue |
19 |
Pages |
871-873 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
A superconducting rod with a magnetic moment on top develops vortices obtained here through 3D calculations of the GinzburgLandau theory. The inhomogeneity of the applied field brings new properties to the vortex patterns that vary according to the rod thickness. We find that for thin rods (disks) the vortex patterns are similar to those obtained in presence of a homogeneous magnetic field instead because they consist of giant vortex states. For thick rods novel patterns are obtained as vortices are curve lines in space that exit through the lateral surface. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000282454400039 |
Publication Date |
2010-03-04 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0921-4534; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.404 |
Times cited |
1 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 1.404; 2010 IF: 1.415 |
| Call Number |
UA @ lucian @ c:irua:85035 |
Serial |
3878 |
| Permanent link to this record |
| |
|
| |
| Author |
Leenaerts, O.; Partoens, B.; Peeters, F.M. |
| Title |
Adsorption of small molecules on graphene |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Microelectronics journal |
Abbreviated Journal |
Microelectron J |
| Volume |
40 |
Issue |
4/5 |
Pages |
860-862 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We investigate the adsorption process of small molecules on graphene through first-principles calculations and show the presence of two main charge transfer mechanisms. Which mechanism is the dominant one depends on the magnetic properties of the adsorbing molecules. We explain these mechanisms through the density of states of the system and the molecular orbitals of the adsorbates, and demonstrate the possible difficulties in calculating the charge transfer from first principles between a graphene sheet and a molecule. Our results are in good agreement with experiment. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Luton |
Editor |
|
| Language |
|
Wos |
000265870200058 |
Publication Date |
2008-12-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0026-2692; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.163 |
Times cited |
116 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.163; 2009 IF: 0.778 |
| Call Number |
UA @ lucian @ c:irua:77030 |
Serial |
65 |
| Permanent link to this record |
| |
|
| |
| Author |
de Backer, J.W.; Vos, W.G.; Vinchurkar, S.C.; Claes, R.; Drollmann, A.; Wulfrank, D.; Parizel, P.M.; Germonpré, P.; de Backer, W. |
| Title |
Validation of computational fluid dynamics in CT-based airway models with SPECT/CT1 |
Type |
A1 Journal article |
| Year |
2010 |
Publication |
Radiology |
Abbreviated Journal |
Radiology |
| Volume |
257 |
Issue |
3 |
Pages |
854-862 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Vision lab; Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP) |
| Abstract |
Purpose: To compare the results obtained by using numerical flow simulations with the results of combined single photon emission computed tomography (SPECT) and computed tomography (CT) and to demonstrate the importance of correct boundary conditions for the numerical methods to account for the large amount of interpatient variability in airway geometry. Materials and Methods: This study was approved by all relevant institutional review boards. All patients gave their signed informed consent. In this study, six patients with mild asthma (three men; three women; overall mean age, 46 years ± 17 [standard deviation]) underwent CT at functional residual capacity and total lung capacity, as well as SPECT/CT. CT data were used for segmentation and computational fluid dynamics (CFD) simulations. A comparison was made between airflow distribution, as derived with (a) SPECT/CT through tracer concentration analysis, (b) CT through lobar expansion measurement, and (c) CFD through flow computer simulation. Also, the heterogeneity of the ventilation was examined. Results: Good agreement was found between SPECT/CT, CT, and CFD in terms of airflow distribution and hot spot detection. The average difference for the internal airflow distribution was less than 3% for CFD and CT versus SPECT/CT. Heterogeneity in ventilation patterns could be detected with SPECT/CT and CFD. Conclusion: This results of this study show that patient-specific computer simulations with appropriate boundary conditions yield information that is similar to that obtained with functional imaging tools, such as SPECT/CT. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Easton, Pa |
Editor |
|
| Language |
|
Wos |
000284469300031 |
Publication Date |
2010-11-17 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0033-8419;1527-1315; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
7.296 |
Times cited |
100 |
Open Access |
|
| Notes |
; Supported by Novartis. ; |
Approved |
Most recent IF: 7.296; 2010 IF: 6.069 |
| Call Number |
UA @ lucian @ c:irua:85379 |
Serial |
3831 |
| Permanent link to this record |
| |
|
| |
| Author |
Tadić, M.; Peeters, F.M. |
| Title |
Exciton states and magnetooptical transitions in stacks of InGaAs/GaAs self-assembled quantum rings |
Type |
A1 Journal article |
| Year |
2007 |
Publication |
AIP conference proceedings |
Abbreviated Journal |
|
| Volume |
893 |
Issue |
|
Pages |
851-852 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Electron, hole, and exciton states in the stacks composed of three strained (InGa)As quantum rings were computed. We found considerable influence of strain on both the single particle and exciton spectra, while the oscillator strength for exciton recombination is reduced by the magnetic field. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
New York |
Editor |
|
| Language |
|
Wos |
|
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0094-243x |
ISBN |
|
Additional Links |
UA library record; WoS full record; |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:94659 |
Serial |
1115 |
| Permanent link to this record |
| |
|
| |
| Author |
Blom, F.A.P.; Peeters, F.M.; van de Zanden, K.; van Hove, M. |
| Title |
Magneto-oscillations of the gate current in a laterally modulated two-dimensional electron gas |
Type |
A1 Journal article |
| Year |
1996 |
Publication |
Surface science : a journal devoted to the physics and chemistry of interfaces |
Abbreviated Journal |
Surf Sci |
| Volume |
361/362 |
Issue |
|
Pages |
851-854 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
A1996UZ03300202 |
Publication Date |
2002-07-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0039-6028; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.925 |
Times cited |
1 |
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ lucian @ c:irua:15812 |
Serial |
1905 |
| Permanent link to this record |
| |
|
| |
| Author |
Chaves, A.; Farias, G.A.; Peeters, F.M.; Ferreira, R. |
| Title |
The Split-operator technique for the study of spinorial wavepacket dynamics |
Type |
A1 Journal article |
| Year |
2015 |
Publication |
Communications in computational physics |
Abbreviated Journal |
Commun Comput Phys |
| Volume |
17 |
Issue |
17 |
Pages |
850-866 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The split-operator technique for wave packet propagation in quantum systems is expanded here to the case of propagatingwave functions describing Schrodinger particles, namely, charge carriers in semiconductor nanostructures within the effective mass approximation, in the presence of Zeeman effect, as well as of Rashba and Dresselhaus spin-orbit interactions. We also demonstrate that simple modifications to the expanded technique allow us to calculate the time evolution of wave packets describing Dirac particles, which are relevant for the study of transport properties in graphene. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000353695400010 |
Publication Date |
2015-03-24 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1815-2406;1991-7120; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.004 |
Times cited |
24 |
Open Access |
|
| Notes |
; The authors gratefully acknowledge fruitful discussions with J. M. Pereira Jr. and R. N. Costa Filho. This work was financially supported by CNPq through the INCT-NanoBioSimes and the Science Without Borders programs (contract 402955/ 2012-9), PRONEX/FUNCAP, CAPES, the Bilateral programme between Flanders and Brazil, and the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 2.004; 2015 IF: 1.943 |
| Call Number |
c:irua:126028 |
Serial |
3593 |
| Permanent link to this record |
| |
|
| |
| Author |
Kato, H.; Peeters, F.M. |
| Title |
Correlation between a remote electron and a two-dimensional electron gas in resonant tunneling devices |
Type |
P3 Proceeding |
| Year |
2001 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
843-844 |
| Keywords |
P3 Proceeding; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
Springer |
Place of Publication |
Berlin |
Editor |
|
| Language |
|
Wos |
|
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
|
ISBN |
|
Additional Links |
UA library record; WoS full record; |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:37298 |
Serial |
521 |
| Permanent link to this record |
| |
|
| |
| Author |
Xu, W.; Leadley, D.R.; Peeters, F.M.; Devreese, J.T.; Nicholas, R.J.; Harris, J.J.; Foxon, C.T. |
| Title |
Destruction of magnetophonon resonance in high mobility heterojunctions from competition between elastic and inelastic scattering |
Type |
P3 Proceeding |
| Year |
1994 |
Publication |
Proceedings of the International Conference on the Physics of Semiconductors |
Abbreviated Journal |
|
| Volume |
22 |
Issue |
|
Pages |
839-842 |
| Keywords |
P3 Proceeding; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
|
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
|
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ lucian @ c:irua:9284 |
Serial |
665 |
| Permanent link to this record |
| |
|
| |
| Author |
Tran, T.L.A.; Çakir, D.; Wong, P.K.J.; Preobrajenski, A.B.; Brocks, G.; van der Wiel, W.G.; de Jong, M.P. |
| Title |
Magnetic properties of bcc-Fe(001)/C-60 interfaces for organic spintronics |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Acs Applied Materials & Interfaces |
Abbreviated Journal |
Acs Appl Mater Inter |
| Volume |
5 |
Issue |
3 |
Pages |
837-841 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The magnetic structure of the interfaces between organic semiconductors and ferromagnetic contacts plays a key role in the spin injection and extraction processes in organic spintronic devices. We present a combined computational (density functional theory) and experimental (X-ray magnetic circular dichroism) study on the magnetic properties of interfaces between bcc-Fe(001) and C-60 molecules. C-60 is an interesting candidate for application in organic spintronics due to the absence of hydrogen atoms and the associated hyperfine fields. Adsorption of C-60 on Fe(001) reduces the magnetic moments on the top Fe layers by similar to 6%, while inducing an antiparrallel magnetic moment of similar to-0.2 mu(B) on C-60. Adsorption of C-60 on a model ferromagnetic substrate consisting of three Fe monolayers on W(001) leads to a different structure but to very similar interface magnetic properties. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000315079700050 |
Publication Date |
2013-01-10 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1944-8244 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
7.504 |
Times cited |
28 |
Open Access |
|
| Notes |
; The authors acknowledge support from the European project MINOTOR (Grant No. FP7-NMP-228424), the European Research Council (ERC Starting Grant No. 280020), and the NWO VIDI program (Grant No. 10246). The use of supercomputer facilities was sponsored by the “Stichting Nationale Computerfaciliteiten (NCF)”, financially supported by the “Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO)”. ; |
Approved |
Most recent IF: 7.504; 2013 IF: 5.900 |
| Call Number |
UA @ lucian @ c:irua:128326 |
Serial |
4599 |
| Permanent link to this record |
| |
|
| |
| Author |
Avetisyan, A.A.; Ghazaryan, A.V.; Djotyan, A.P.; Kirakosyan, A.A.; Moulopoulos, K. |
| Title |
Magnetoexcitons in semiconductor quantum rings with complicated (Kane's) dispersion law |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Acta physica Polonica: A: general physics, solid state physics, applied physics
T2 – 4th Workshop on Quantum Chaos and Localisation Phenomena, MAY 22-24, 2009, Polish Acad Sci, Ctr Theoret Phys, Inst Phys, Polish Acad Sci, Ctr Theoret Phys, Inst Phys, War |
Abbreviated Journal |
|
| Volume |
116 |
Issue |
5 |
Pages |
826-828 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The influence of the nonparabolicity of charge carriers dispersion law (Kane's dispersion) on a magnetoexciton energy spectrum in InSb quantum rings is theoretically investigated The analytical expression for the energy spectrum of exciton in a narrow-gap semiconductor nanoring in a magnetic field is obtained. The Aharonov – Bohm oscillations in the energy of excited states are studied. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000273091200015 |
Publication Date |
2016-02-25 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0587-4246 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:172293 |
Serial |
8193 |
| Permanent link to this record |
| |
|
| |
| Author |
Hai, G.Q.; Studart, N.; Peeters, F.M.; Devreese, J.T.; Koenraad, P.M.; van de Stadt, A.F.W.; Wolter, J.H. |
| Title |
Electron mobility in Si delta-doped GaAs |
Type |
P3 Proceeding |
| Year |
1994 |
Publication |
Proceedings of the International Conference on the Physics of Semiconductors |
Abbreviated Journal |
|
| Volume |
22 |
Issue |
|
Pages |
823-826 |
| Keywords |
P3 Proceeding; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
|
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
|
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ lucian @ c:irua:9283 |
Serial |
979 |
| Permanent link to this record |
| |
|
| |
| Author |
Bercx, M.; Slap, L.; Partoens, B.; Lamoen, D. |
| Title |
First-Principles Investigation of the Stability of the Oxygen Framework of Li-Rich Battery Cathodes |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
MRS advances |
Abbreviated Journal |
MRS Adv. |
| Volume |
4 |
Issue |
14 |
Pages |
813-820 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
| Abstract |
Lithium-rich layered oxides such as Li<sub>2</sub>MnO<sub>3</sub>have shown great potential as cathodes in Li-ion batteries, mainly because of their large capacities. However, these materials still suffer from structural degradation as the battery is cycled, reducing the average voltage and capacity of the cell. The voltage fade is believed to be related to the migration of transition metals into the lithium layer, linked to the formation of O-O dimers with a short bond length, which in turn is driven by the presence of oxygen holes due to the participation of oxygen in the redox process. We investigate the formation of O-O dimers for partially charged O1-Li<sub>2</sub>MnO<sub>3</sub>using a first-principles density functional theory approach by calculating the reaction energy and kinetic barriers for dimer formation. Next, we perform similar calculations for partially charged O1-Li<sub>2</sub>IrO<sub>3</sub>, a Li-rich material for which the voltage fade was not observed during cycling. When we compare the stability of the oxygen framework, we conclude that the formation of O-O dimers is both thermodynamically and kinetically viable for O1-Li<sub>0.5</sub>MnO<sub>3</sub>. For O1-Li<sub>0.5</sub>IrO<sub>3</sub>, we observe that the oxygen lattice is much more stable, either returning to its original state when perturbed, or resulting in a structure with an O-O dimer that is much higher in energy. This can be explained by the mixed redox process for Li<sub>2</sub>IrO<sub>3</sub>, which is also shown from the calculated magnetic moments. The lack of O-O dimer formation in O1-Li<sub>0.5</sub>IrO<sub>3</sub>provides valuable insight as to why Li<sub>2</sub>IrO<sub>3</sub>does not demonstrate a voltage fade as the battery is cycled, which can be used to design Li-rich battery cathodes with an improved cycling performance. |
| Address |
|
| Corporate Author |
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Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000466846700004 |
Publication Date |
2019-02-21 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2059-8521 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
3 |
Open Access |
Not_Open_Access: Available from 22.02.2020
|
| Notes |
We acknowledge the financial support of FWO-Vlaanderen through project G040116N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government-department EWI. |
Approved |
Most recent IF: NA |
| Call Number |
EMAT @ emat @UA @ admin @ c:irua:160121 |
Serial |
5179 |
| Permanent link to this record |
| |
|
| |
| Author |
Szafran, B.; Peeters, F.M. |
| Title |
Lorentz-force-induced asymmetry in the Aharonov-Bohm effect in a three-terminal semiconductor quantum ring |
Type |
A1 Journal article |
| Year |
2005 |
Publication |
Europhysics letters |
Abbreviated Journal |
Epl-Europhys Lett |
| Volume |
70 |
Issue |
6 |
Pages |
810-816 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Paris |
Editor |
|
| Language |
|
Wos |
000230210600016 |
Publication Date |
2005-05-17 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0295-5075;1286-4854; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.957 |
Times cited |
28 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.957; 2005 IF: 2.237 |
| Call Number |
UA @ lucian @ c:irua:69614 |
Serial |
1843 |
| Permanent link to this record |
| |
|
| |
| Author |
Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M. |
| Title |
Non commensurate vortex lattices in a composite antidot lattice or dc current |
Type |
A1 Journal article |
| Year |
2008 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
| Volume |
468 |
Issue |
7/10 |
Pages |
809-812 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000257355300070 |
Publication Date |
2008-03-03 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0921-4534; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.404 |
Times cited |
2 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.404; 2008 IF: 0.740 |
| Call Number |
UA @ lucian @ c:irua:70075 |
Serial |
2343 |
| Permanent link to this record |
| |
|
| |
| Author |
Sels, D.; Brosens, F.; Magnus, W. |
| Title |
On the path integral representation of the Wigner function and the BarkerMurray ansatz |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Physics letters : A |
Abbreviated Journal |
Phys Lett A |
| Volume |
376 |
Issue |
6/7 |
Pages |
809-812 |
| Keywords |
A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT) |
| Abstract |
The propagator of the Wigner function is constructed from the WignerLiouville equation as a phase space path integral over a new effective Lagrangian. In contrast to a paper by Barker and Murray (1983) [1], we show that the path integral can in general not be written as a linear superposition of classical phase space trajectories over a family of non-local forces. Instead, we adopt a saddle point expansion to show that the semiclassical Wigner function is a linear superposition of classical solutions for a different set of non-local time dependent forces. As shown by a simple example the specific form of the path integral makes the formulation ideal for Monte Carlo simulation. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000301167300005 |
Publication Date |
2012-01-17 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0375-9601; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.772 |
Times cited |
7 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 1.772; 2012 IF: 1.766 |
| Call Number |
UA @ lucian @ c:irua:94006 |
Serial |
2445 |
| Permanent link to this record |
