| Records |
Author  |
Bafekry, A.; Van Nguyen, C.; Stampfl, C.; Akgenc, B.; Ghergherehchi, M. |
| Title |
Oxygen vacancies in the single layer of Ti₂CO₂ MXene: effects of gating voltage, mechanical strain, and atomic impurities |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Physica Status Solidi B-Basic Solid State Physics |
Abbreviated Journal |
Phys Status Solidi B |
| Volume |
|
Issue |
|
Pages |
2000343-2000349 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Herein, using first-principles calculations the structural and electronic properties of the Ti(2)CO(2)MXene monolayer with and without oxygen vacancies are systematically investigated with different defect concentrations and patterns, including partial, linear, local, and hexagonal types. The Ti(2)CO(2)monolayer is found to be a semiconductor with a bandgap of 0.35 eV. The introduction of oxygen vacancies tends to increase the bandgap and leads to electronic phase transitions from nonmagnetic semiconductors to half-metals. Moreover, the semiconducting characteristic of O-vacancy Ti(2)CO(2)can be adjusted via electric fields, strain, and F-atom substitution. In particular, an electric field can be used to alter the nonmagnetic semiconductor of O-vacancy Ti(2)CO(2)into a magnetic one or into a half-metal, whereas the electronic phase transition from a semiconductor to metal can be achieved by applying strain and F-atom substitution. The results provide a useful guide for practical applications of O-vacancy Ti(2)CO(2)monolayers in nanoelectronic and spinstronic nanodevices. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000571060800001 |
Publication Date |
2020-09-04 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0370-1972 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.6 |
Times cited |
|
Open Access |
|
| Notes |
; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korean government (MSIT) (NRF-2017R1A2B2011989). ; |
Approved |
Most recent IF: 1.6; 2020 IF: 1.674 |
| Call Number |
UA @ admin @ c:irua:171948 |
Serial |
6576 |
| Permanent link to this record |
| |
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| |
| Author |
Bafekry, A.; Yagmurcukardes, M.; Akgenc, B.; Ghergherehchi, M.; Mortazavi, B. |
| Title |
First-principles investigation of electronic, mechanical and thermoelectric properties of graphene-like XBi (X = Si, Ge, Sn) monolayers |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Physical Chemistry Chemical Physics |
Abbreviated Journal |
Phys Chem Chem Phys |
| Volume |
23 |
Issue |
21 |
Pages |
12471-12478 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Research progress on single layer group III monochalcogenides has been increasing rapidly owing to their interesting physics. Herein, we investigate the dynamically stable single layer forms of XBi (X = Ge, Si or Sn) using density functional theory calculations. Phonon band dispersion calculations and ab initio molecular dynamics simulations reveal the dynamical and thermal stability of the considered monolayers. Raman spectra calculations indicate the existence of 5 Raman active phonon modes, 3 of which are prominent and can be observed in possible Raman measurements. The electronic band structures of the XBi single layers were investigated with and without the effects of spin-orbit coupling (SOC). Our results show that XBi single layers show semiconducting properties with narrow band gap values without SOC. However, only single layer SiBi is an indirect band gap semiconductor, while GeBi and SnBi exhibit metallic behaviors when adding spin-orbit coupling effects. In addition, the calculated linear elastic parameters indicate the soft nature of the predicted monolayers. Moreover, our predictions for the thermoelectric properties of single layer XBi reveal that SiBi is a good thermoelectric material with increasing temperature. Overall, it is proposed that single layer XBi structures can be alternative, stable 2D single layers with varying electronic and thermoelectric properties. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000653851100001 |
Publication Date |
2021-04-08 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1463-9076; 1463-9084 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.123 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 4.123 |
| Call Number |
UA @ admin @ c:irua:179007 |
Serial |
6992 |
| Permanent link to this record |
| |
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| |
| Author |
Bafekry, A.; Yagmurcukardes, M.; Akgenc, B.; Ghergherehchi, M.; Nguyen, C. |
| Title |
Van der Waals heterostructures of MoS₂ and Janus MoSSe monolayers on graphitic boron-carbon-nitride (BC₃, C₃N, C₃N₄ and C₄N₃) nanosheets: a first-principles study |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Journal Of Physics D-Applied Physics |
Abbreviated Journal |
J Phys D Appl Phys |
| Volume |
|
Issue |
|
Pages |
1-10 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
In this work, we extensively investigate the structural and electronic properties of van der Waals heterostructures (HTs) constructed by MoS${2}$/$BC3$, MoS${2}$/$C3N$, MoS${2}$/$C3N4$, MoS${2}$/$C4N3$ and those using Janus MoSSe instead of MoS$2$ by performing density functional theory calculations. The electronic band structure calculations and the corresponding partial density of states reveal that the significant changes are driven by quite strong layer-layer interaction between the constitutive layers. Our results show that although all monolayers are semiconductors as free-standing layers, the MoS${2}$/$C3N$ and MoS${2}$/$C4N3$ bilayer HTs display metallic behavior as a consequence of transfer of charge carriers between two constituent layers. In addition, it is found that in MoSSe/$C3N$ bilayer HT, the degree of metallicity is affected by the interface chalcogen atom type when Se atoms are facing to $C3N$ layer, the overlap of the bands around the Fermi level is smaller. Moreover, the half-metallic magnetic $C4N3$ is shown to form magnetic half-metallic trilayer HT with MoS$2$ independent of the stacking sequence, i.e. whether it is sandwiched or two $C4N3$ layer encapsulate MoS$2$ layer. We further analyze the trilayer HTs in which MoS$2$ is encapsulated by two different monolayers and it is revealed that at least with one magnetic monolayer, it is possible to construct a magnetic trilayer. While the trilayer of $C4N3$/MoS${2}$/$BC3$ and $C4N3$/MoS${2}$/$C3N4$ exhibit half-metallic characteristics, $C4N3$/MoS${_2}$/$C3$N possesses a magnetic metallic ground state. Overall, our results reveal that holly structures of BCN crystals are suitable for heterostructure formation even over van der Waals type interaction which significantly changes electronic nature of the constituent layers. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000543344800001 |
Publication Date |
2020-04-07 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-3727 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.4 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.4; 2020 IF: 2.588 |
| Call Number |
UA @ admin @ c:irua:169754 |
Serial |
6651 |
| Permanent link to this record |
| |
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| |
| Author |
Bafekry, A.; Yagmurcukardes, M.; Shahrokhi, M.; Ghergherehchi, M. |
| Title |
Electro-optical properties of monolayer and bilayer boron-doped C₃N: Tunable electronic structure via strain engineering and electric field |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
| Volume |
168 |
Issue |
|
Pages |
220-229 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
In this work, the structural, electronic and optical properties of monolayer and bilayer of boron doped C3N are investigated by means of density functional theory-based first-principles calculations. Our results show that with increasing the B dopant concentration from 3.1% to 12.5% in the hexagonal pattern, an indirect-to-direct band gap (0.8 eV) transition occurs. Furthermore, we study the effect of electric field and strain on the B doped C3N bilayer (B-C3N@2L). It is shown that by increasing E-field strength from 0.1 to 0.6V/angstrom, the band gap displays almost a linear decreasing trend, while for the > 0.6V/angstrom, we find dual narrow band gap with of 50 meV (in parallel E-field) and 0.4 eV (in antiparallel E-field). Our results reveal that in-plane and out-of-plane strains can modulate the band gap and band edge positions of the B-C3N@2L. Overall, we predict that B-C3N@2L is a new platform for the study of novel physical properties in layered two-dimensional materials (2DM) which may provide new opportunities to realize high-speed low-dissipation devices. (C) 2020 Elsevier Ltd. All rights reserved. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000565900900008 |
Publication Date |
2020-07-13 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0008-6223 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
10.9 |
Times cited |
21 |
Open Access |
|
| Notes |
; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government(MSIT) (NRF-2017R1A2B2011989). M. Yagmurcukardes acknowledges Flemish Science Foundation (FWO-VI) by a postdoctoral fellowship. ; |
Approved |
Most recent IF: 10.9; 2020 IF: 6.337 |
| Call Number |
UA @ admin @ c:irua:171914 |
Serial |
6500 |
| Permanent link to this record |
| |
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| |
| Author |
Bafekry, A.; Yagmurcukardes, M.; Shahrokhi, M.; Ghergherehchi, M.; Kim, D.; Mortazavi, B. |
| Title |
Electro-optical and mechanical properties of Zinc antimonide (ZnSb) monolayer and bilayer : a first-principles study |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Applied Surface Science |
Abbreviated Journal |
Appl Surf Sci |
| Volume |
540 |
Issue |
1 |
Pages |
148289 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Latest synthesis of ZnSb monolayer, encouraged us to conduct density functional theory (DFT) simulations in order to study the structural, magnetic, electronic/optical and mechanical features of the sp2-hybridized honeycomb ZnSb monolayer (ML-ZnSb) and bilayer (BL-ZnSb). Our structural optimizations reveal that ML-ZnSb is an anisotropic hexagonal structure while BL-ZnSb is composed of shifted ZnSb layers which are covalently binded. ML-ZnSb is found to be a ferromagnetic metal, in contrast BL-ZnSb has a non-magnetic indirect band gap semiconducting ground state. For the in-plane polarization, first absorption peak of ML-ZnSb and BL-ZnSb confirm the absorbance of the light within the infrared domain wand visible range, respectively. Moreover, our results reveal that the layer-layer chemical bonding in BL-ZnSb significantly enhances the mechanical response of ML-ZnSb whose in-plane stiness is the smallest among all 2D materials (2DM). Notably, the strong in-plane anisotropy of ML-ZnSb in its stiness reduces in BL-ZnSb. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000599883200005 |
Publication Date |
2020-11-09 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0169-4332 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.387 |
Times cited |
1 |
Open Access |
Not_Open_Access |
| Notes |
; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). Computational resources were provided by the Flemish Supercomputer Center (VSC). M.Y. is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship. B.M. and X. Z. appreciate the funding by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germanys Excellence Strategy within the Cluster of Excellence PhoenixD (EXC 2122, Project ID 390833453). ; |
Approved |
Most recent IF: 3.387 |
| Call Number |
UA @ admin @ c:irua:174956 |
Serial |
6688 |
| Permanent link to this record |
| |
|
| |
| Author |
Bakalov, P.; Esfahani, D.N.; Covaci, L.; Peeters, F.M.; Tempere, J.; Locquet, J.-P. |
| Title |
Electric-field-driven Mott metal-insulator transition in correlated thin films : an inhomogeneous dynamical mean-field theory approach |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
93 |
Issue |
93 |
Pages |
165112 |
| Keywords |
A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT) |
| Abstract |
Simulations are carried out based on the dynamical mean-field theory (DMFT) in order to investigate the properties of correlated thin films for various values of the chemical potential, temperature, interaction strength, and applied transverse electric field. Application of a sufficiently strong field to a thin film at half filling leads to the appearance of conducting regions near the surfaces of the film, whereas in doped slabs the application of a field leads to a conductivity enhancement on one side of the film and a gradual transition to the insulating state on the opposite side. In addition to the inhomogeneous DMFT, a local density approximation (LDA) is considered in which the particle density n, quasiparticle residue Z, and spectral weight at the Fermi level A(ω=0) of each layer are approximated by a homogeneous bulk environment. A systematic comparison between the two approaches reveals that the less expensive LDA results are in good agreement with the DMFT approach, except close to the metal-to-insulator transition points and in the layers immediately at the film surfaces. LDA values for n are overall more reliable than those for Z and A(ω=0). The hysteretic behavior (memory effect) characteristic of the bulk doping driven Mott transition persists in the slab. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
|
| Language |
|
Wos |
000373572700002 |
Publication Date |
2016-04-09 |
| 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 |
5 |
Open Access |
|
| Notes |
; This work was partially funded by the Flemish Fund for Scientific Research (FWO Belgium) under FWO Grant No. G.0520.10 and the joint FWF (Austria)-FWO Grant No. GOG6616N, and by the SITOGA FP7 project. Most of the calculations were performed on KU Leuven's ThinKing HPC cluster provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government-department EWI. ; |
Approved |
Most recent IF: 3.836 |
| Call Number |
UA @ lucian @ c:irua:132872 |
Serial |
4167 |
| Permanent link to this record |
| |
|
| |
| Author |
Bals, S.; Kisielowski, C.; Croitoru, M.; Van Tendeloo, G. |
| Title |
Tomography using annular dark field imaging in TEM |
Type |
A3 Journal article |
| Year |
2005 |
Publication |
Microscopy and microanalysis |
Abbreviated Journal |
|
| Volume |
11 |
Issue |
S |
Pages |
2118-2119 |
| Keywords |
A3 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT) |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
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Publication Date |
0000-00-00 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
|
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:54880 |
Serial |
3672 |
| 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 |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000306099900024 |
Publication Date |
2012-06-12 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
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 |
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| |
| Author |
Barba-Ortega, J.; Sardella, E.; Aguiar, J.A.; Peeters, F.M. |
| Title |
Non-conventional vortex configurations in a mesoscopic flat disk |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
| Volume |
487 |
Issue |
|
Pages |
47-55 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The influence of superficial defects on the vortex configurations of a thin superconducting disk is investigated within the time dependent Ginzburg-Landau formalism. The free energy, magnetization, vorticity, and the Cooper pair density are calculated for both metastable and stable vortex configurations and different number of defects on its surface in the presence of an external magnetic field applied perpendicular to the disk area. We show that the competition between the confinement geometry and the geometric position of the defects leads to non-conventional vortex configurations which are not compatible with the symmetry of the sample geometry. Crown Copyright (C) 2013 Published by Elsevier B.V. All rights reserved. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Amsterdam |
Editor |
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| Language |
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Wos |
000317743300009 |
Publication Date |
2013-02-27 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| 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 |
17 |
Open Access |
|
| Notes |
; This work was partially supported by the Brazilian agencies CNPq, CAPES, FACEPE (APQ 0589-105/08), FAPESP, CNPq-FWO bilateral project, and Colombian Agencies Colciencias and DIB. ; |
Approved |
Most recent IF: 1.404; 2013 IF: 1.110 |
| Call Number |
UA @ lucian @ c:irua:108486 |
Serial |
2344 |
| Permanent link to this record |
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| |
| Author |
Barbier, M. |
| Title |
Transport properties of nanostructures and superlattices on single-layer and bilayer graphene |
Type |
Doctoral thesis |
| Year |
2012 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
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| Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Antwerpen |
Editor |
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| Language |
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Wos |
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Publication Date |
0000-00-00 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
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ISBN |
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Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:100632 |
Serial |
3728 |
| Permanent link to this record |
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| |
| Author |
Barbier, M.; Papp, G.; Peeters, F.M. |
| Title |
Snake states and Klein tunneling in a graphene Hall bar with a pn-junction |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
| Volume |
100 |
Issue |
16 |
Pages |
163121-163121,3 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The Hall (R-H) and bend (R-B) resistances of a graphene Hall bar structure containing a pn-junction are calculated when in the ballistic regime. The simulations are done using the billiard model. Introducing a pn-junction-dividing the Hall bar geometry in two regions-leads to two distinct regimes exhibiting very different physics: (1) both regions are of n-type and (2) one region is n-type and the other p-type. In regime (1), a “Hall plateau”-an enhancement of the resistance-appears for R-H. On the other hand, in regime (2), we found a negative R-H, which approaches zero for large B. The bend resistance is highly asymmetric in regime (2) and the resistance increases with increasing magnetic field B in one direction while it reduces to zero in the other direction. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4704667] |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000303128500064 |
Publication Date |
2012-04-20 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.411 |
Times cited |
20 |
Open Access |
|
| Notes |
; This work was supported by IMEC, the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the ESF-EuroGRAPHENE project CONGRAN. ; |
Approved |
Most recent IF: 3.411; 2012 IF: 3.794 |
| Call Number |
UA @ lucian @ c:irua:99129 |
Serial |
3047 |
| Permanent link to this record |
| |
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| |
| Author |
Barbier, M.; Peeters, F.M.; Vasilopoulos, P.; Milton Pereira, J. |
| Title |
Dirac and Klein-Gordon particles in one-dimensional periodic potentials |
Type |
A1 Journal article |
| Year |
2008 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
77 |
Issue |
|
Pages |
115446,1-9 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
|
| Language |
|
Wos |
000254542800198 |
Publication Date |
2008-03-25 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
191 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.836; 2008 IF: 3.322 |
| Call Number |
UA @ lucian @ c:irua:69633 |
Serial |
706 |
| Permanent link to this record |
| |
|
| |
| Author |
Barbier, M.; Vasilopoulos, P.; Peeters, F.M. |
| Title |
Dirac electrons in a Kronig-Penney potential: dispersion relation and transmission periodic in the strength of the barriers |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Physical review : B : solid state |
Abbreviated Journal |
Phys Rev B |
| Volume |
80 |
Issue |
20 |
Pages |
205415,1-205415,5 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The transmission T and conductance G through one or multiple one-dimensional, ä-function barriers of two-dimensional fermions with a linear energy spectrum are studied. T and G are periodic functions of the strength P of the ä-function barrier V(x,y)/ℏvF=Pä(x). The dispersion relation of a Kronig-Penney (KP) model of a superlattice is also a periodic function of P and causes collimation of an incident electron beam for P=2ðn and n integer. For a KP superlattice with alternating sign of the height of the barriers the Dirac point becomes a Dirac line for P=(n+1/2)ð. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| Language |
|
Wos |
000272311400101 |
Publication Date |
2009-12-04 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
93 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.836; 2009 IF: 3.475 |
| Call Number |
UA @ lucian @ c:irua:80316 |
Serial |
707 |
| Permanent link to this record |
| |
|
| |
| Author |
Barbier, M.; Vasilopoulos, P.; Peeters, F.M. |
| Title |
Extra Dirac points in the energy spectrum for superlattices on single-layer graphene |
Type |
A1 Journal article |
| Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
81 |
Issue |
7 |
Pages |
075438,1-075438,7 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We investigate the emergence of extra Dirac points in the electronic structure of a periodically spaced barrier system, i.e., a superlattice, on single-layer graphene, using a Dirac-type Hamiltonian. Using square barriers allows us to find analytic expressions for the occurrence and location of these new Dirac points in k space and for the renormalization of the electron velocity near them in the low-energy range. In the general case of unequal barrier and well widths the new Dirac points move away from the Fermi level and for given heights of the potential barriers there is a minimum and maximum barrier width outside of which the new Dirac points disappear. The effect of these extra Dirac points on the density of states and on the conductivity is investigated. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000274998200133 |
Publication Date |
2010-02-25 |
| 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 |
211 |
Open Access |
|
| Notes |
; This work was supported by IMEC, the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), the Brazilian Council for Research (CNPq), and the Canadian NSERC Grant No. OGP0121756. ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
| Call Number |
UA @ lucian @ c:irua:81767 |
Serial |
1159 |
| Permanent link to this record |
| |
|
| |
| Author |
Barbier, M.; Vasilopoulos, P.; Peeters, F.M. |
| Title |
Kronig-Penney model on bilayer graphene : spectrum and transmission periodic in the strength of the barriers |
Type |
A1 Journal article |
| Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
82 |
Issue |
23 |
Pages |
235408-235408,10 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We show that the transmission through single and double δ-function potential barriers of strength P=VWb/ℏvF in bilayer graphene is periodic in P with period π. For a certain range of P values we find states that are bound to the potential barrier and that run along the potential barrier. Similar periodic behavior is found for the conductance. The spectrum of a periodic succession of δ-function barriers (Kronig-Penney model) in bilayer graphene is periodic in P with period 2π. For P smaller than a critical value Pc, the spectrum exhibits two Dirac points while for P larger than Pc an energy gap opens. These results are extended to the case of a superlattice of δ-function barriers with P alternating in sign between successive barriers; the corresponding spectrum is periodic in P with period π. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000286766900008 |
Publication Date |
2010-12-06 |
| 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 |
34 |
Open Access |
|
| Notes |
; This work was supported by IMEC, the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the Canadian NSERC under Grant No. OGP0121756. ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
| Call Number |
UA @ lucian @ c:irua:88910 |
Serial |
1768 |
| Permanent link to this record |
| |
|
| |
| Author |
Barbier, M.; Vasilopoulos, P.; Peeters, F.M. |
| Title |
Single-layer and bilayer graphene superlattices: collimation, additional Dirac points and Dirac lines |
Type |
A1 Journal article |
| Year |
2010 |
Publication |
Philosophical transactions of the Royal Society : mathematical, physical and engineering sciences |
Abbreviated Journal |
Philos T R Soc A |
| Volume |
368 |
Issue |
1932 |
Pages |
5499-5524 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We review the energy spectrum and transport properties of several types of one-dimensional superlattices (SLs) on single-layer and bilayer graphene. In single-layer graphene, for certain SL parameters an electron beam incident on an SL is highly collimated. On the other hand, there are extra Dirac points generated for other SL parameters. Using rectangular barriers allows us to find analytical expressions for the location of new Dirac points in the spectrum and for the renormalization of the electron velocities. The influence of these extra Dirac points on the conductivity is investigated. In the limit of δ-function barriers, the transmission T through and conductance G of a finite number of barriers as well as the energy spectra of SLs are periodic functions of the dimensionless strength P of the barriers, Graphic, with vF the Fermi velocity. For a KronigPenney SL with alternating sign of the height of the barriers, the Dirac point becomes a Dirac line for P = π/2+nπ with n an integer. In bilayer graphene, with an appropriate bias applied to the barriers and wells, we show that several new types of SLs are produced and two of them are similar to type I and type II semiconductor SLs. Similar to single-layer graphene SLs, extra Dirac points are found in bilayer graphene SLs. Non-ballistic transport is also considered. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000283660000011 |
Publication Date |
2010-11-01 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1364-503X;1471-2962; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.97 |
Times cited |
64 |
Open Access |
|
| Notes |
; This work was supported by IMEC, the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP) and the Canadian NSERC through grant no. OGP0121756. ; |
Approved |
Most recent IF: 2.97; 2010 IF: 2.459 |
| Call Number |
UA @ lucian @ c:irua:85597 |
Serial |
3023 |
| Permanent link to this record |
| |
|
| |
| Author |
Barbier, M.; Vasilopoulos, P.; Peeters, F.M.; Pereira, J.M. |
| Title |
Band structure, density of states, and transmission in graphene bilayer superlattices |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
AIP conference proceedings |
Abbreviated Journal |
|
| Volume |
1199 |
Issue |
|
Pages |
547-548 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The energy spectrum and density of states of graphene bilayer superlattices (SLs) are evaluated. We take into account doping and/or gating of the layers as well as tunnel coupling between them. In addition, we evaluate the transmission through such SLs and through single or double barriers. The transmission exhibits a strong dependence on the direction of the incident wave vector. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
New York |
Editor |
|
| Language |
|
Wos |
000281590800258 |
Publication Date |
2010-01-15 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
|
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:84893 |
Serial |
217 |
| Permanent link to this record |
| |
|
| |
| Author |
Barbier, M.; Vasilopoulos, P.; Peeters, F.M.; Pereira, J.M. |
| Title |
Bilayer graphene with single and multiple electrostatic barriers: band structure and transmission |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Physical review : B : solid state |
Abbreviated Journal |
Phys Rev B |
| Volume |
79 |
Issue |
15 |
Pages |
155402,1-155402,8 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We evaluate the electronic transmission and conductance in bilayer graphene through a finite number of potential barriers. Further, we evaluate the dispersion relation in a bilayer graphene superlattice with a periodic potential applied to both layers. As a model we use the tight-binding Hamiltonian in the continuum approximation. For zero bias the dispersion relation shows a finite gap for carriers with zero momentum in the direction parallel to the barriers. This is in contrast to single-layer graphene where no such gap was found. A gap also appears for a finite bias. Numerical results for the energy spectrum, conductance, and the density of states are presented and contrasted with those pertaining to single-layer graphene. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| Language |
|
Wos |
000265944200091 |
Publication Date |
2009-04-01 |
| 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 |
74 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.836; 2009 IF: 3.475 |
| Call Number |
UA @ lucian @ c:irua:77025 |
Serial |
235 |
| Permanent link to this record |
| |
|
| |
| Author |
Barnes, D.J.; Nicholas, R.J.; Peeters, F.M.; Wu, X.G.; Devreese, J.T.; Singleton, J.; Langerak, C.J.G.M.; Harris, J.J.; Foxon, C.T. |
| Title |
The observation and theory of optically detected magnetophonon resonance |
Type |
A1 Journal article |
| Year |
1991 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
| Volume |
66 |
Issue |
|
Pages |
794-797 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
A1991EX92300030 |
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0031-9007 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
7.512 |
Times cited |
38 |
Open Access |
|
| Notes |
|
Approved |
MATERIALS SCIENCE, MULTIDISCIPLINARY 135/271 Q2 # PHYSICS, APPLIED 70/145 Q2 # PHYSICS, CONDENSED MATTER 40/67 Q3 # |
| Call Number |
UA @ lucian @ c:irua:965 |
Serial |
2414 |
| Permanent link to this record |
| |
|
| |
| Author |
Barnes, D.J.; Nicholas, R.J.; Watts, M.; Peeters, F.M.; Wu, X.G.; Devreese, J.T.; Langerak, C.J.; Singleton, J.; Harris, J.J.; Foxon, C.T. |
| Title |
Optically detected magnetophonon resonance in GaAs-GaAlAs heterojunctions |
Type |
P3 Proceeding |
| Year |
1991 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
|
| Keywords |
P3 Proceeding; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
| 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 |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
PHYSICS, APPLIED 47/145 Q2 # |
| Call Number |
UA @ lucian @ c:irua:961 |
Serial |
2478 |
| Permanent link to this record |
| |
|
| |
| Author |
Baskurt, M.; Eren, I.; Yagmurcukardes, M.; Sahin, H. |
| Title |
Vanadium dopant- and strain-dependent magnetic properties of single-layer VI₃ |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Applied Surface Science |
Abbreviated Journal |
Appl Surf Sci |
| Volume |
508 |
Issue |
|
Pages |
144937-6 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Motivated by the recent synthesis of two-dimensional VI3 [Kong et al. Adv. Mater. 31, 1808074 (2019)], we investigate the effect of V doping on the magnetic and electronic properties of monolayer VI3 by means of first-principles calculations. The dynamically stable semiconducting ferromagnetic (FM) and antiferromagnetic (AFM) phases of monolayer VI3 are found to display distinctive vibrational features that the magnetic state can be distinguished by Raman spectroscopy. In order to clarify the effect of experimentally observed excessive V atoms, the magnetic and electronic properties of the V-doped VI3 structures are analyzed. Our findings indicate that partially doped VI3 structures display FM ground state while the fully-doped structure exhibits AFM ground state. The fully-doped monolayer VI3 is found to be a semiconductor with a relatively larger band gap than its pristine structure. In addition, strain-dependent electronic and magnetic properties of fully- and partially-doped VI3 structures reveal that pristine monolayer displays a FM-to-AFM phase transition with robust semiconducting nature for 5% of compressive strain, while fully-doped monolayer VI3 structure possesses AFM-to-FM semiconducting transition at tensile strains larger than 4%. In contrast, the partially-doped VI3 monolayers are found to display robust FM ground state under biaxial strain. Its dopant and strain tunable electronic and magnetic nature makes monolayer VI3 a promising material for applications in nanoscale spintronic devices. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000516818700040 |
Publication Date |
2019-12-24 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0169-4332 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.7 |
Times cited |
10 |
Open Access |
|
| Notes |
; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. Acknowledges financial support from the TUBITAK under the project number 117F095. H.S. acknowledges support from Turkish Academy of Sciences under the GEBIP program. This work is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship (M.Y.). ; |
Approved |
Most recent IF: 6.7; 2020 IF: 3.387 |
| Call Number |
UA @ admin @ c:irua:168595 |
Serial |
6652 |
| Permanent link to this record |
| |
|
| |
| Author |
Baskurt, M.; Nair, R.R.; Peeters, F.M.; Sahin, H. |
| Title |
Ultra-thin structures of manganese fluorides : conversion from manganese dichalcogenides by fluorination |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Physical Chemistry Chemical Physics |
Abbreviated Journal |
Phys Chem Chem Phys |
| Volume |
23 |
Issue |
17 |
Pages |
10218-10224 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
In this study, it is predicted by density functional theory calculations that graphene-like novel ultra-thin phases of manganese fluoride crystals, that have nonlayered structures in their bulk form, can be stabilized by fluorination of manganese dichalcogenide crystals. First, it is shown that substitution of fluorine atoms with chalcogens in the manganese dichalcogenide host lattice is favorable. Among possible crystal formations, three stable ultra-thin structures of manganese fluoride, 1H-MnF2, 1T-MnF2 and MnF3, are found to be stable by total energy optimization calculations. In addition, phonon calculations and Raman activity analysis reveal that predicted novel single-layers are dynamically stable crystal structures displaying distinctive characteristic peaks in their vibrational spectrum enabling experimental determination of the corresponding phases. Differing from 1H-MnF2 antiferromagnetic (AFM) large gap semiconductor, 1T-MnF2 and MnF3 single-layers are semiconductors with ferromagnetic (FM) ground state. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000641719700001 |
Publication Date |
2021-04-15 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1463-9076; 1463-9084 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.123 |
Times cited |
1 |
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 4.123 |
| Call Number |
UA @ admin @ c:irua:178252 |
Serial |
7043 |
| Permanent link to this record |
| |
|
| |
| Author |
Baskurt, M.; Yagmurcukardes, M.; Peeters, F.M.; Sahin, H. |
| Title |
Stable single-layers of calcium halides (CaX₂, X = F, Cl, Br, I) |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Journal Of Chemical Physics |
Abbreviated Journal |
J Chem Phys |
| Volume |
152 |
Issue |
16 |
Pages |
164116-164118 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
By means of density functional theory based first-principles calculations, the structural, vibrational, and electronic properties of 1H- and 1T-phases of single-layer CaX2 (X = F, Cl, Br, or I) structures are investigated. Our results reveal that both the 1H- and 1T-phases are dynamically stable in terms of their phonon band dispersions with the latter being the energetically favorable phase for all single-layers. In both phases of single-layer CaX2 structures, significant phonon softening occurs as the atomic radius increases. In addition, each structural phase exhibits distinctive Raman active modes that enable one to characterize either the phase or the structure via Raman spectroscopy. The electronic band dispersions of single-layer CaX2 structures reveal that all structures are indirect bandgap insulators with a decrease in bandgaps from fluorite to iodide crystals. Furthermore, the calculated linear elastic constants, in-plane stiffness, and Poisson ratio indicate the ultra-soft nature of CaX2 single-layers, which is quite important for their nanoelastic applications. Overall, our study reveals that with their dynamically stable 1T- and 1H-phases, single-layers of CaX2 crystals can be alternative ultra-thin insulators. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000531819100001 |
Publication Date |
2020-04-29 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0021-9606 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.4 |
Times cited |
10 |
Open Access |
|
| Notes |
; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges financial support from the TUBITAK under Project No. 117F095. H.S. acknowledges support from the Turkish Academy of Sciences under the GEBIP program. M.Y. was supported by a postdoctoral fellowship from the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 4.4; 2020 IF: 2.965 |
| Call Number |
UA @ admin @ c:irua:169543 |
Serial |
6615 |
| Permanent link to this record |
| |
|
| |
| Author |
Becker, T.; Nelissen, K.; Cleuren, B. |
| Title |
Current fluctuations in boundary driven diffusive systems in different dimensions : a numerical study |
Type |
A1 Journal article |
| Year |
2015 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
| Volume |
17 |
Issue |
17 |
Pages |
055023 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We use kinetic Monte Carlo simulations to investigate current fluctuations in boundary driven generalized exclusion processes, in different dimensions. Simulation results are in full agreement with predictions based on the additivity principle and the macroscopic fluctuation theory. The current statistics are independent of the shape of the contacts with the reservoirs, provided they are macroscopic in size. In general, the current distribution depends on the spatial dimension. For the special cases of the symmetric simple exclusion process and the zero-range process, the current statistics are the same for all spatial dimensions. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000355282700001 |
Publication Date |
2015-05-27 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.786 |
Times cited |
5 |
Open Access |
|
| Notes |
; We thank Christian Van den Broeck for bringing this problem to our attention. We are grateful to Bart Partoens and Carlo Vanderzande for a careful reading of the manuscript. This work was supported by the Flemish Science Foundation (Fonds Wetenschappelijk Onderzoek), Project No. G038811N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government-department EWI. ; |
Approved |
Most recent IF: 3.786; 2015 IF: 3.558 |
| Call Number |
c:irua:126405 |
Serial |
592 |
| Permanent link to this record |
| |
|
| |
| Author |
Becker, T.; Nelissen, K.; Cleuren, B.; Partoens, B.; Van den Broeck, C. |
| Title |
Adsorption and desorption in confined geometries : a discrete hopping model |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
The European physical journal. Special topics |
Abbreviated Journal |
Eur Phys J-Spec Top |
| Volume |
223 |
Issue |
14 |
Pages |
3243-3256 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We study the adsorption and desorption kinetics of interacting particles moving on a one-dimensional lattice. Confinement is introduced by limiting the number of particles on a lattice site. Adsorption and desorption are found to proceed at different rates, and are strongly influenced by the concentration-dependent transport diffusion. Analytical solutions for the transport and self-diffusion are given for systems of length 1 and 2 and for a zero-range process. In the last situation the self- and transport diffusion can be calculated analytically for any length. |
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Thesis |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000346416400015 |
Publication Date |
2014-12-15 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1951-6355;1951-6401; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.862 |
Times cited |
4 |
Open Access |
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| Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government – department EWI. ; |
Approved |
Most recent IF: 1.862; 2014 IF: 1.399 |
| Call Number |
UA @ lucian @ c:irua:122779 |
Serial |
61 |
| Permanent link to this record |
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| Author |
Becker, T.; Nelissen, K.; Cleuren, B.; Partoens, B.; van den Broeck, C. |
| Title |
Diffusion of interacting particles in discrete geometries |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
| Volume |
111 |
Issue |
11 |
Pages |
110601 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We evaluate the self-diffusion and transport diffusion of interacting particles in a discrete geometry consisting of a linear chain of cavities, with interactions within a cavity described by a free-energy function. Exact analytical expressions are obtained in the absence of correlations, showing that the self-diffusion can exceed the transport diffusion if the free-energy function is concave. The effect of correlations is elucidated by comparison with numerical results. Quantitative agreement is obtained with recent experimental data for diffusion in a nanoporous zeolitic imidazolate framework material, ZIF-8. |
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Thesis |
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Place of Publication |
New York, N.Y. |
Editor |
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Wos |
000324233800001 |
Publication Date |
2013-09-11 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0031-9007;1079-7114; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
8.462 |
Times cited |
22 |
Open Access |
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| Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen). ; |
Approved |
Most recent IF: 8.462; 2013 IF: 7.728 |
| Call Number |
UA @ lucian @ c:irua:111176 |
Serial |
699 |
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| Author |
Becker, T.; Nelissen, K.; Cleuren, B.; Partoens, B.; Van den Broeck, C. |
| Title |
Diffusion of interacting particles in discrete geometries: Equilibrium and dynamical properties |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Physical review : E : statistical, nonlinear, and soft matter physics |
Abbreviated Journal |
Phys Rev E |
| Volume |
90 |
Issue |
5 |
Pages |
052139 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We expand on a recent study of a lattice model of interacting particles [Phys. Rev. Lett. 111, 110601 (2013)]. The adsorption isotherm and equilibrium fluctuations in particle number are discussed as a function of the interaction. Their behavior is similar to that of interacting particles in porous materials. Different expressions for the particle jump rates are derived from transition-state theory. Which expression should be used depends on the strength of the interparticle interactions. Analytical expressions for the self-and transport diffusion are derived when correlations, caused by memory effects in the environment, are neglected. The diffusive behavior is studied numerically with kinetic Monte Carlo (kMC) simulations, which reproduces the diffusion including correlations. The effect of correlations is studied by comparing the analytical expressions with the kMC simulations. It is found that the Maxwell-Stefan diffusion can exceed the self-diffusion. To our knowledge, this is the first time this is observed. The diffusive behavior in one-dimensional and higher-dimensional systems is qualitatively the same, with the effect of correlations decreasing for increasing dimension. The length dependence of both the self-and transport diffusion is studied for one-dimensional systems. For long lengths the self-diffusion shows a 1/L dependence. Finally, we discuss when agreement with experiments and simulations can be expected. The assumption that particles in different cavities do not interact is expected to hold quantitatively at low and medium particle concentrations if the particles are not strongly interacting. |
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Thesis |
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| Publisher |
American Institute of Physics |
Place of Publication |
Woodbury (NY) |
Editor |
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| Language |
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Wos |
000345251500004 |
Publication Date |
2014-12-04 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1539-3755;1550-2376; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.366 |
Times cited |
8 |
Open Access |
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| Notes |
; This work was supported by the Flemish Science Foundation (Fonds Wetenschappelijk Onderzoek), Project No. G.0388.11. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government, Department EWI. ; |
Approved |
Most recent IF: 2.366; 2014 IF: 2.288 |
| Call Number |
UA @ lucian @ c:irua:122134 |
Serial |
700 |
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| Author |
Becker, T.; Nelissen, K.; Cleuren, B.; Partoens, B.; Van den Broeck, C. |
| Title |
Comment on “Generalized exclusion processes : transport coefficients” |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
Physical review E |
Abbreviated Journal |
Phys Rev E |
| Volume |
93 |
Issue |
93 |
Pages |
046101 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
In a recent paper, Arita et al. [Phys. Rev. E 90, 052108 (2014)] consider the transport properties of a class of generalized exclusion processes. Analytical expressions for the transport-diffusion coefficient are derived by ignoring correlations. It is claimed that these expressions become exact in the hydrodynamic limit. In this Comment,we point out that (i) the influence of correlations upon the diffusion does not vanish in the hydrodynamic limit, and (ii) the expressions for the self- and transport diffusion derived by Arita et al. are special cases of results derived in Becker et al. [Phys. Rev. Lett. 111, 110601 (2013)]. |
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Thesis |
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Place of Publication |
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Editor |
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Wos |
000374962100019 |
Publication Date |
2016-04-25 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
2470-0045;2470-0053; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.366 |
Times cited |
3 |
Open Access |
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| Notes |
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Approved |
Most recent IF: 2.366 |
| Call Number |
UA @ lucian @ c:irua:141060 |
Serial |
4591 |
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| Author |
Beckers, A.; Thewissen, M.; Sorée, B. |
| Title |
Energy filtering in silicon nanowires and nanosheets using a geometric superlattice and its use for steep-slope transistors |
Type |
A1 Journal article |
| Year |
2018 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
| Volume |
124 |
Issue |
14 |
Pages |
144304 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
This paper investigates energy filtering in silicon nanowires and nanosheets by resonant electron tunneling through a geometric superlattice. A geometric superlattice is any kind of periodic geometric feature along the transport direction of the nanowire or nanosheet. Multivalley quantum-transport simulations are used to demonstrate the manifestation of minibands and minibandgaps in the transmission spectra of such a superlattice. We find that the presence of different valleys in the conduction band of silicon favors a nanowire with a rectangular cross section for effective energy filtering. The obtained energy filter can consequently be used in the source extension of a field-effect transistor to prevent high-energy electrons from contributing to the leakage current. Self-consistent Schrodinger-Poisson simulations in the ballistic limit show minimum subthreshold swings of 6 mV/decade for geometric superlattices with indentations. The obtained theoretical performance metrics for the simulated devices are compared with conventional III-V superlatticeFETs and TunnelFETs. The adaptation of the quantum transmitting boundary method to the finite-element simulation of 3-D structures with anisotropic effective mass is presented in Appendixes A and B. Our results bare relevance in the search for steep-slope transistor alternatives which are compatible with the silicon industry and can overcome the power-consumption bottleneck inherent to standard CMOS technologies. Published by AIP Publishing. |
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| Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Wos |
000447148100011 |
Publication Date |
2018-10-11 |
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Series Title |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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| ISSN |
0021-8979; 1089-7550 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.068 |
Times cited |
3 |
Open Access |
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| Notes |
; ; |
Approved |
Most recent IF: 2.068 |
| Call Number |
UA @ lucian @ c:irua:154729UA @ admin @ c:irua:154729 |
Serial |
5099 |
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| Author |
Bedanov, V.M.; Peeters, F.M. |
| Title |
Ordering and phase transitions of charged particles in a classical finite two-dimensional system |
Type |
A1 Journal article |
| Year |
1994 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
49 |
Issue |
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Pages |
2667-2676 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
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Thesis |
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Place of Publication |
Lancaster, Pa |
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Wos |
A1994MV08900040 |
Publication Date |
0000-00-00 |
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Series Title |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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| ISSN |
1098-0121; 0163-1829 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.736 |
Times cited |
412 |
Open Access |
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| Notes |
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Approved |
no |
| Call Number |
UA @ lucian @ c:irua:9366 |
Serial |
2505 |
| Permanent link to this record |
