Records |
Author |
Liu, J.; Xu, W.; Xiao, Y.M.; Ding, L.; Li, H.W.; Peeters, F.M. |
Title |
Optical spectrum of n-type and p-type monolayer MoS₂ in the presence of proximity-induced interactions |
Type |
A1 Journal article |
Year |
2023 |
Publication |
Journal of applied physics |
Abbreviated Journal |
|
Volume |
134 |
Issue |
22 |
Pages |
224301-224307 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
In this paper, we examined the effects of proximity-induced interactions such as Rashba spin-orbit coupling and effective Zeeman fields (EZFs) on the optical spectrum of n-type and p-type monolayer (ML)-MoS2. The optical conductivity is evaluated using the standard Kubo formula under random-phase approximation by including the effective electron-electron interaction. It has been found that there exist two absorption peaks in n-type ML-MoS2 and two knife shaped absorptions in p-type ML-MoS2, which are contributed by the inter-subband spin-flip electronic transitions within conduction and valence bands at valleys K and K ' with a lifted valley degeneracy. The optical absorptions in n-type and p-type ML-MoS 2 occur in THz and infrared radiation regimes and the position, height, and shape of them can be effectively tuned by Rashba parameter, EZF parameters, and carrier density. The interesting theoretical predictions in this study would be helpful for the experimental observation of the optical absorption in infrared to THz bandwidths contributed by inter-subband spin-flip electronic transitions in a lifted valley degeneracy monolayer transition metal dichalcogenides system. The obtained results indicate that ML-MoS2 with the platform of proximity interactions make it a promising infrared and THz material for optics and optoelectronics. |
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Place of Publication |
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Wos |
001135684400003 |
Publication Date |
2023-12-11 |
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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 ![sorted by ISSN field, ascending order (up)](img/sort_asc.gif) |
0021-8979; 1089-7550 |
ISBN |
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Additional Links |
UA library record; WoS full record |
Impact Factor |
3.2 |
Times cited |
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Open Access |
|
Notes |
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Approved |
Most recent IF: 3.2; 2023 IF: 2.068 |
Call Number |
UA @ admin @ c:irua:202777 |
Serial |
9069 |
Permanent link to this record |
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Author |
Berdiyorov, G.; Harrabi, K.; Mehmood, U.; Peeters, F.M.; Tabet, N.; Zhang, J.; Hussein, I.A.; McLachlan, M.A. |
Title |
Derivatization and diffusive motion of molecular fullerenes : ab initio and atomistic simulations |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
118 |
Issue |
118 |
Pages |
025101 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Using first principles density functional theory in combination with the nonequilibrium Green's function formalism, we study the effect of derivatization on the electronic and transport properties of C-60 fullerene. As a typical example, we consider [6,6]-phenyl-C-61-butyric acid methyl ester (PCBM), which forms one of the most efficient organic photovoltaic materials in combination with electron donating polymers. Extra peaks are observed in the density of states (DOS) due to the formation of new electronic states localized at/near the attached molecule. Despite such peculiar behavior in the DOS of an isolated molecule, derivatization does not have a pronounced effect on the electronic transport properties of the fullerene molecular junctions. Both C-60 and PCBM show the same response to finite voltage biasing with new features in the transmission spectrum due to voltage induced delocalization of some electronic states. We also study the diffusive motion of molecular fullerenes in ethanol solvent and inside poly(3-hexylthiophene) lamella using reactive molecular dynamics simulations. We found that the mobility of the fullerene reduces considerably due to derivatization; the diffusion coefficient of C-60 is an order of magnitude larger than the one for PCBM. (c) 2015 AIP Publishing LLC. |
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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 |
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Language |
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Wos |
000357961000036 |
Publication Date |
2015-07-10 |
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 ![sorted by ISSN field, ascending order (up)](img/sort_asc.gif) |
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 |
2 |
Open Access |
|
Notes |
; K.H., U.M. and I.A.H. would like to thank the National Science, Technology and Innovation Program of KACST for funding this research under Project No. 12-ENE2379-04. They also acknowledge support from KFUPM and Research Institute. ; |
Approved |
Most recent IF: 2.068; 2015 IF: 2.183 |
Call Number |
c:irua:127098 |
Serial |
652 |
Permanent link to this record |
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Author |
Milovanović, S.P.; Moldovan, D.; Peeters, F.M. |
Title |
Veselago lensing in graphene with a p-n junction: Classical versus quantum effects |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
118 |
Issue |
118 |
Pages |
154308 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The feasibility of Veselago lensing in graphene with a p-n junction is investigated numerically for realistic injection leads. Two different set-ups with two narrow leads are considered with absorbing or reflecting side edges. This allows us to separately determine the influence of scattering on electron focusing for the edges and the p-n interface. Both semiclassical and tight-binding simulations show a distinctive peak in the transmission probability that is attributed to the Veselago lensing effect. We investigate the robustness of this peak on the width of the injector, the position of the p-n interface, and different gate potential profiles. Furthermore, the influence of scattering by both short- and long-range impurities is considered. |
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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 |
000363535800022 |
Publication Date |
2015-10-20 |
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 ![sorted by ISSN field, ascending order (up)](img/sort_asc.gif) |
0021-8979;1089-7550; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
19 |
Open Access |
|
Notes |
This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN, and the Methusalem Foundation of the Flemish government. |
Approved |
Most recent IF: 2.068; 2015 IF: 2.183 |
Call Number |
c:irua:129452 |
Serial |
3969 |
Permanent link to this record |
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Author |
Milovanović, S.P.; Masir, M.R.; Peeters, F.M. |
Title |
Magnetic electron focusing and tuning of the electron current with a pn-junction |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
115 |
Issue |
4 |
Pages |
043719-6 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Transverse magnetic focusing properties of graphene using a ballistic four terminal structure are investigated. The electric response is obtained using the semiclassical billiard model. The transmission exhibits pronounced peaks as a consequence of skipping orbits at the edge of the structure. When we add a pn-junction between the two probes, snake states along the pn-interface appear. Injected electrons are guided by the pn-interface to one of the leads depending on the value of the applied magnetic field. Oscillations in the resistance are found depending on the amount of particles that end up in each lead. |
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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 |
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Language |
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Wos |
000331210800066 |
Publication Date |
2014-01-30 |
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 ![sorted by ISSN field, ascending order (up)](img/sort_asc.gif) |
0021-8979;1089-7550; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
21 |
Open Access |
|
Notes |
This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN, and the Methusalem Foundation of the Flemish government. |
Approved |
Most recent IF: 2.068; 2014 IF: 2.183 |
Call Number |
UA @ lucian @ c:irua:115801 |
Serial |
1866 |
Permanent link to this record |
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Author |
Sen, H.S.; Sahin, H.; Peeters, F.M.; Durgun, E. |
Title |
Monolayers of MoS2 as an oxidation protective nanocoating material |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
116 |
Issue |
8 |
Pages |
083508 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
First-principle calculations are employed to investigate the interaction of oxygen with ideal and defective MoS2 monolayers. Our calculations show that while oxygen atoms are strongly bound on top of sulfur atoms, the oxygen molecule only weakly interacts with the surface. The penetration of oxygen atoms and molecules through a defect-free MoS2 monolayer is prevented by a very high diffusion barrier indicating that MoS2 can serve as a protective layer for oxidation. The analysis is extended to WS2 and similar coating characteristics are obtained. Our calculations indicate that ideal and continuous MoS2 and WS2 monolayers can improve the oxidation and corrosion-resistance of the covered surface and can be considered as an efficient nanocoating material. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License. |
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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 |
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Language |
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Wos |
000342821600017 |
Publication Date |
2014-08-27 |
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 ![sorted by ISSN field, ascending order (up)](img/sort_asc.gif) |
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 |
52 |
Open Access |
|
Notes |
; This work was supported by the bilateral project between TUBITAK (through Grant No. 113T050) and Flemish Science Foundation (FWO-Vl). The calculations were performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). E.D. acknowledges support from Bilim Akademisi-The Science Academy, Turkey under the BAGEP program. H.S. is supported by an FWO Pegasus-long Marie Curie Fellowship. ; |
Approved |
Most recent IF: 2.068; 2014 IF: 2.183 |
Call Number |
UA @ lucian @ c:irua:121101 |
Serial |
2194 |
Permanent link to this record |
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Author |
Li, L.L.; Xu, W.; Peeters, F.M. |
Title |
Optical conductivity of topological insulator thin films |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
117 |
Issue |
117 |
Pages |
175305 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We present a detailed theoretical study on the optoelectronic properties of topological insulator thin film (TITFs). The k . p approach is employed to calculate the energy spectra and wave functions for both the bulk and surface states in the TITF. With these obtained results, the optical conductivities induced by different electronic transitions among the bulk and surface states are evaluated using the energy-balance equation derived from the Boltzmann equation. We find that for Bi2Se3-based TITFs, three characteristic regimes for the optical absorption can be observed. (i) In the low radiation frequency regime (photon energy (h) over bar omega < 200 meV), the free-carrier absorption takes place due to intraband electronic transitions. An optical absorption window can be observed. (ii) In the intermediate radiation frequency regime (200 < (h) over bar omega < 300 meV), the optical absorption is induced mainly by interband electronic transitions from surface states in the valance band to surface states in the conduction band and an universal value sigma(0) = e(2) / (8<(h)over bar>) for the optical conductivity can be obtained. (iii) In the high radiation frequency regime ((h) over bar omega > 300 meV), the optical absorption can be achieved via interband electronic transitions from bulk and surface states in the valance band to bulk and surface states in the conduction band. A strong absorption peak can be observed. These interesting findings indicate that optical measurements can be applied to identify the energy regimes of bulk and surface states in the TITF. (C) 2015 AIP Publishing LLC. |
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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 |
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Language |
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Wos |
000354984100615 |
Publication Date |
2015-05-06 |
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 ![sorted by ISSN field, ascending order (up)](img/sort_asc.gif) |
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 |
9 |
Open Access |
|
Notes |
; This work was supported by the National Natural Science Foundation of China (Grant No. 11304316), Ministry of Science and Technology of China (Grant No. 2011YQ130018), Department of Science and Technology of Yunnan Province, and by the Chinese Academy of Sciences. ; |
Approved |
Most recent IF: 2.068; 2015 IF: 2.183 |
Call Number |
c:irua:126412 |
Serial |
2473 |
Permanent link to this record |
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Author |
Zhao, C.X.; Xu, W.; Li, L.L.; Zhang, C.; Peeters, F.M. |
Title |
Terahertz plasmon-polariton modes in graphene driven by electric field inside a Fabry-Perot cavity |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
117 |
Issue |
117 |
Pages |
223104 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We present a theoretical study on plasmon-polariton modes in graphene placed inside an optical cavity and driven by a source-to-drain electric field. The electron velocity and electron temperature are determined by solving self-consistently the momentum-and energy-balance equations in which electron interactions with impurities, acoustic-, and optic-phonons are included. Based on many-body self-consistent field theory, we develop a tractable approach to study plasmon-polariton in an electron gas system. We find that when graphene is placed inside a Fabry-Perot cavity, two branches of the plasmon-polariton modes can be observed and these modes are very much optic-or plasmon-like. The frequencies of these modes depend markedly on driving electric field especially at higher resonant frequency regime. Moreover, the plasmon-polariton frequency in graphene is in terahertz (THz) bandwidth and can be tuned by changing the cavity length, gate voltage, and driving electric field. This work is pertinent to the application of graphene-based structures as tunable THz plasmonic devices. (C) 2015 AIP Publishing LLC. |
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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 |
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Language |
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Wos |
000356176100004 |
Publication Date |
2015-06-10 |
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 ![sorted by ISSN field, ascending order (up)](img/sort_asc.gif) |
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 |
13 |
Open Access |
|
Notes |
; This work was supported by the Ministry of Science and Technology of China (Grant No. 2011YQ130018), Department of Science and Technology of Yunnan Province, and by the Chinese Academy of Sciences. F.M.P. was a specially appointed Professor for foreign expert at the Chinese Academy of Sciences. ; |
Approved |
Most recent IF: 2.068; 2015 IF: 2.183 |
Call Number |
c:irua:127076 |
Serial |
3507 |
Permanent link to this record |
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Author |
Berdiyorov, G.R.; Bahlouli, H.; Peeters, F.M. |
Title |
Theoretical study of electronic transport properties of a graphene-silicene bilayer |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
117 |
Issue |
117 |
Pages |
225101 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Electronic transport properties of a graphene-silicene bilayer system are studied using density-functional theory in combination with the nonequilibrium Green's function formalism. Depending on the energy of the electrons, the transmission can be larger in this system as compared to the sum of the transmissions of separated graphene and silicene monolayers. This effect is related to the increased electron density of states in the bilayer sample. At some energies, the electronic states become localized in one of the layers, resulting in the suppression of the electron transmission. The effect of an applied voltage on the transmission becomes more pronounced in the layered sample as compared to graphene due to the larger variation of the electrostatic potential profile. Our findings will be useful when creating hybrid nanoscale devices where enhanced transport properties will be desirable. (C) 2015 AIP Publishing LLC. |
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 |
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Language |
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Wos |
000356176100040 |
Publication Date |
2015-06-10 |
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 ![sorted by ISSN field, ascending order (up)](img/sort_asc.gif) |
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 |
10 |
Open Access |
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Notes |
; H. B. and F. M. P. acknowledge support from King Fahd University of Petroleum and Minerals, Saudi Arabia, under the RG1329-1 and RG1329-2 DSR Projects. ; |
Approved |
Most recent IF: 2.068; 2015 IF: 2.183 |
Call Number |
c:irua:127075 |
Serial |
3611 |
Permanent link to this record |
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Author |
Kandemir, A.; Peeters, F.M.; Sahin, H. |
Title |
Monitoring the effect of asymmetrical vertical strain on Janus single layers of MoSSe via spectrum |
Type |
A1 Journal article |
Year |
2018 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
Volume |
149 |
Issue |
8 |
Pages |
084707 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Using first principles calculations, we study the structural and phononic properties of the recently synthesized Janus type single layers of molybdenum dichalcogenides. The Janus MoSSe single layer possesses 2H crystal structure with two different chalcogenide sides that lead to out-of-plane anisotropy. By virtue of the asymmetric structure of the ultra-thin Janus type crystal, we induced the out-of-plane anisotropy to show the distinctive vertical pressure effect on the vibrational properties of the Janus material. It is proposed that for the corresponding Raman active optical mode of the Janus structure, the phase modulation and the magnitude ratio of the strained atom and its first neighbor atom adjust the distinctive change in the eigen-frequencies and Raman activity. Moreover, a strong variation in the Raman activity of the Janus structure is obtained under bivertical and univertical strains. Not only eigen-frequency shifts but also Raman activities of the optical modes of the Janus structure exhibit distinguishable features. This study reveals that the vertical anisotropic feature of the Janus structure under Raman measurement allows us to distinguish which side of the Janus crystal interacts with the externals (substrate, functional adlayers, or dopants). Published by AIP Publishing. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000444035800044 |
Publication Date |
2018-08-30 |
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 ![sorted by ISSN field, ascending order (up)](img/sort_asc.gif) |
0021-9606 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.965 |
Times cited |
11 |
Open Access |
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Notes |
; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges financial support from TUBITAK under Project No. 117F095. F.M.P. was supported by the FLAG-ERA-TRANS<INF>2D</INF>TMD. ; |
Approved |
Most recent IF: 2.965 |
Call Number |
UA @ lucian @ c:irua:153711UA @ admin @ c:irua:153711 |
Serial |
5115 |
Permanent link to this record |
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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. |
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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 |
000531819100001 |
Publication Date |
2020-04-29 |
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 ![sorted by ISSN field, ascending order (up)](img/sort_asc.gif) |
0021-9606 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.4 |
Times cited |
14 |
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 |
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Author |
Hamid, I.; Jalali, H.; Peeters, F.M.; Neek-Amal, M. |
Title |
Abnormal in-plane permittivity and ferroelectricity of confined water : from sub-nanometer channels to bulk |
Type |
A1 Journal article |
Year |
2021 |
Publication |
Journal Of Chemical Physics |
Abbreviated Journal |
J Chem Phys |
Volume |
154 |
Issue |
11 |
Pages |
114503 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Dielectric properties of nano-confined water are important in several areas of science, i.e., it is relevant in the dielectric double layer that exists in practically all heterogeneous fluid-based systems. Molecular dynamics simulations are used to predict the in-plane dielectric properties of confined water in planar channels of width ranging from sub-nanometer to bulk. Because of suppressed rotational degrees of freedom near the confining walls, the dipole of the water molecules tends to be aligned parallel to the walls, which results in a strongly enhanced in-plane dielectric constant (epsilon (parallel to)) reaching values of about 120 for channels with height 8 angstrom < h < 10 angstrom. With the increase in the width of the channel, we predict that epsilon (parallel to) decreases nonlinearly and reaches the bulk value for h > 70 angstrom. A stratified continuum model is proposed that reproduces the h > 10 angstrom dependence of epsilon (parallel to). For sub-nanometer height channels, abnormal behavior of epsilon (parallel to) is found with two orders of magnitude reduction of epsilon (parallel to) around h similar to 7.5 angstrom, which is attributed to the formation of a particular ice phase that exhibits long-time (similar to mu s) stable ferroelectricity. This is of particular importance for the understanding of the influence of confined water on the functioning of biological systems. |
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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 |
000629831900001 |
Publication Date |
2021-03-17 |
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 ![sorted by ISSN field, ascending order (up)](img/sort_asc.gif) |
0021-9606 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.965 |
Times cited |
13 |
Open Access |
OpenAccess |
Notes |
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Approved |
Most recent IF: 2.965 |
Call Number |
UA @ admin @ c:irua:177579 |
Serial |
6967 |
Permanent link to this record |
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Author |
Singh, S.K.; Neek-Amal, M.; Peeters, F.M. |
Title |
Electronic properties of graphene nano-flakes : energy gap, permanent dipole, termination effect, and Raman spectroscopy |
Type |
A1 Journal article |
Year |
2014 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
Volume |
140 |
Issue |
7 |
Pages |
074304-74309 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The electronic properties of graphene nano-flakes (GNFs) with different edge passivation are investigated by using density functional theory. Passivation with F and H atoms is considered: C-Nc X-Nx (X = F or H). We studied GNFs with 10 < N-c < 56 and limit ourselves to the lowest energy configurations. We found that: (i) the energy difference Delta between the highest occupied molecular orbital and the lowest unoccupied molecular orbital decreases with N-c, (ii) topological defects (pentagon and heptagon) break the symmetry of the GNFs and enhance the electric polarization, (iii) the mutual interaction of bilayer GNFs can be understood by dipole-dipole interaction which were found sensitive to the relative orientation of the GNFs, (iv) the permanent dipoles depend on the edge terminated atom, while the energy gap is independent of it, and (v) the presence of heptagon and pentagon defects in the GNFs results in the largest difference between the energy of the spin-up and spin-down electrons which is larger for the H-passivated GNFs as compared to F-passivated GNFs. Our study shows clearly the effect of geometry, size, termination, and bilayer on the electronic properties of small GNFs. This study reveals important features of graphene nano-flakes which can be detected using Raman spectroscopy. (C) 2014 AIP Publishing LLC. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000332039900020 |
Publication Date |
2014-02-20 |
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 ![sorted by ISSN field, ascending order (up)](img/sort_asc.gif) |
0021-9606;1089-7690; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.965 |
Times cited |
30 |
Open Access |
|
Notes |
; This work was supported by the EU-Marie Curie IIF postdoctoral Fellowship/ 299855 (for M. N.-A.), the ESF-EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem Foundation of the Flemish Government. ; |
Approved |
Most recent IF: 2.965; 2014 IF: 2.952 |
Call Number |
UA @ lucian @ c:irua:115857 |
Serial |
1002 |
Permanent link to this record |
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Author |
Euan-Diaz, E.; Herrera-Velarde, S.; Misko, V.R.; Peeters, F.M.; Castaneda-Priego, R. |
Title |
Structural transitions and long-time self-diffusion of interacting colloids confined by a parabolic potential |
Type |
A1 Journal article |
Year |
2015 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
Volume |
142 |
Issue |
142 |
Pages |
024902 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We report on the ordering and dynamics of interacting colloidal particles confined by a parabolic potential. By means of Brownian dynamics simulations, we find that by varying the magnitude of the trap stiffness, it is possible to control the dimension of the system and, thus, explore both the structural transitions and the long-time self-diffusion coefficient as a function of the degree of confinement. We particularly study the structural ordering in the directions perpendicular and parallel to the confinement. Further analysis of the local distribution of the first-neighbors layer allows us to identify the different structural phases induced by the parabolic potential. These results are summarized in a structural state diagram that describes the way in which the colloidal suspension undergoes a structural re-ordering while increasing the confinement. To fully understand the particle dynamics, we take into account hydrodynamic interactions between colloids; the parabolic potential constricts the available space for the colloids, but it does not act on the solvent. Our findings show a non-linear behavior of the long-time self-diffusion coefficient that is associated to the structural transitions induced by the external field. (C) 2015 AIP Publishing LLC. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000348129700053 |
Publication Date |
2015-01-10 |
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 ![sorted by ISSN field, ascending order (up)](img/sort_asc.gif) |
0021-9606;1089-7690; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.965 |
Times cited |
7 |
Open Access |
|
Notes |
; This work was partially supported by the “Odysseus” Program of the Flemish Government, the Flemish Science Foundation (FWO-Vl), PIFI 3.4 – PROMEP, and CONACyT (Grant Nos. 61418/2007, 102339/2008, Ph.D. scholarship 230171/2010). R.C.-P. also acknowledges financial support provided by the Marcos Moshinsky fellowship 2013-2014. The authors also thank to the General Coordination of Information and Communications Technologies (CGSTIC) at Cinvestav for providing HPC resources on the Hybrid Cluster Super-computer Xiuhcoatl, which have contributed partially to the research results reported in this paper. ; |
Approved |
Most recent IF: 2.965; 2015 IF: 2.952 |
Call Number |
c:irua:123832 |
Serial |
3267 |
Permanent link to this record |
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Author |
Milošević, M.V.; Yampolskii, S.V.; Peeters, F.M. |
Title |
The vortex-magnetic dipole interaction in the London approximation |
Type |
A1 Journal article |
Year |
2003 |
Publication |
Journal of low temperature physics |
Abbreviated Journal |
J Low Temp Phys |
Volume |
130 |
Issue |
3/4 |
Pages |
321-331 |
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 |
New York |
Editor |
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Language |
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Wos |
000180742900014 |
Publication Date |
2003-03-28 |
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 ![sorted by ISSN field, ascending order (up)](img/sort_asc.gif) |
0022-2291; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.3 |
Times cited |
3 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.3; 2003 IF: 1.171 |
Call Number |
UA @ lucian @ c:irua:44987 |
Serial |
3868 |
Permanent link to this record |
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Author |
Milošević, M.V.; Peeters, F.M. |
Title |
Vortex matter in the presence of magnetic pinning centra |
Type |
A1 Journal article |
Year |
2003 |
Publication |
Journal of low temperature physics |
Abbreviated Journal |
J Low Temp Phys |
Volume |
130 |
Issue |
3/4 |
Pages |
311-320 |
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 |
New York |
Editor |
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Language |
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Wos |
000180742900013 |
Publication Date |
2003-03-28 |
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 ![sorted by ISSN field, ascending order (up)](img/sort_asc.gif) |
0022-2291; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.3 |
Times cited |
3 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.3; 2003 IF: 1.171 |
Call Number |
UA @ lucian @ c:irua:44988 |
Serial |
3875 |
Permanent link to this record |
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Author |
Dantas, D.S.; Chaves, A.; Farias, G.A.; Ramos, A.C.A.; Peeters, F.M. |
Title |
Low-dimensional confining structures on the surface of helium films suspended on designed cavities |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Journal of low temperature physics |
Abbreviated Journal |
J Low Temp Phys |
Volume |
173 |
Issue |
3-4 |
Pages |
207-226 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We investigate the formation of quantum confined structures on the surface of a liquid helium film suspended on a nanostructured substrate. We show theoretically that, by nanostructuring the substrate, it is possible to change the geometry of the liquid helium surface, opening the possibility of designing and controlling the formation of valleys with different shapes. By applying an external electric field perpendicular to the substrate plane, surface electrons can be trapped into these valleys, as in a quantum dot. We investigate how the external parameters, such as the electric field strength and the height of the liquid helium bath, can be tuned to control the energy spectrum of the trapped surface electrons. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York |
Editor |
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Language |
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Wos |
000324820300008 |
Publication Date |
2013-08-22 |
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 ![sorted by ISSN field, ascending order (up)](img/sort_asc.gif) |
0022-2291;1573-7357; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.3 |
Times cited |
1 |
Open Access |
|
Notes |
; This work has received financial support from the Brazilian National Research Council (CNPq), Fundacao Cearense de Apoio ao Desenvolvimento Cientifico e Tecnologico (Funcap), CAPES and Pronex/CNPq/Funcap. This work was partially supported by the Flemish Science Foundation (FWO-Vl) and the bilateral project between CNPq and FWO-Vl. ; |
Approved |
Most recent IF: 1.3; 2013 IF: 1.036 |
Call Number |
UA @ lucian @ c:irua:111140 |
Serial |
1845 |
Permanent link to this record |
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Author |
Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M. |
Title |
The structure and manipulation of vortex states in a superconducting square with 2 × 2 blind holes |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Journal of low temperature physics |
Abbreviated Journal |
J Low Temp Phys |
Volume |
139 |
Issue |
1 |
Pages |
229-238 |
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 |
New York |
Editor |
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Language |
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Wos |
000228853900021 |
Publication Date |
2005-04-29 |
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 ![sorted by ISSN field, ascending order (up)](img/sort_asc.gif) |
0022-2291;1573-7357; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.3 |
Times cited |
4 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.3; 2005 IF: 0.753 |
Call Number |
UA @ lucian @ c:irua:57246 |
Serial |
3284 |
Permanent link to this record |
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Author |
Milošević, M.V.; Peeters, F.M. |
Title |
Vortex-antivortex lattices in superconducting films with magnetic pinning arrays |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Journal of low temperature physics |
Abbreviated Journal |
J Low Temp Phys |
Volume |
139 |
Issue |
1 |
Pages |
257-272 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
New York |
Editor |
|
Language |
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Wos |
|
Publication Date |
2005-04-29 |
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 ![sorted by ISSN field, ascending order (up)](img/sort_asc.gif) |
0022-2291;1573-7357; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.3 |
Times cited |
12 |
Open Access |
|
Notes |
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Approved |
Most recent IF: 1.3; 2005 IF: 0.753 |
Call Number |
UA @ lucian @ c:irua:57245 |
Serial |
3853 |
Permanent link to this record |
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Author |
Zhou, S.; Xu, W.; Xiao, Y.; Xiao, H.; Zhang, J.; Wang, Z.; He, G.; Liu, J.; Li, Y.; Peeters, F.M. |
Title |
Influence of neutron irradiation on X-ray diffraction, Raman spectrum and photoluminescence from pyrolytic and hot-pressed hexagonal boron nitride |
Type |
A1 Journal article |
Year |
2023 |
Publication |
Journal of luminescence |
Abbreviated Journal |
|
Volume |
263 |
Issue |
|
Pages |
120118-8 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Hexagonal boron nitride (hBN) is considered as an ideal semiconductor material for solid-state neutron detector, owing to its large neutron scattering section because of the low atomic number of B and excellent physical properties. Here we study the influence of neutron irradiation on crystal structure and on intermediate energy state (IMES) levels induced by the presence of impurities and defects in hBN. Large-size and thick pyrolytic and hot-pressed hBN (PBN and HBN) samples, which can be directly applied for neutron detector devices, are prepared and bombarded by neutrons with different irradiation fluences. The SEM and TEM are used to observe the sample difference of PBN and HBN. X-ray diffraction and Raman spectroscopy are applied to examine the influence of neutron irradiation on lattice structures along different crystal directions of PBN and HBN samples. Photoluminescence (PL) is employed to study the effect of neutron irradiation on IMESs in these samples. We find that the neutron irradiation does not alter the in-plane lattice structures of both PBN and HBN samples, but it can release the inter-layer tensions induced by sample growth of the PBN samples. Interestingly and surprisingly, the neutron irradiation does not affect the IMES levels responsible for PL generation, where PL is attributed mainly from phonon-assisted radiative electron-hole coupling for both PBN and HBN samples. Furthermore, the results indicate that the neutron irradiation can weaken the effective carrier-phonon coupling and exciton transitions in PBN and HBN samples. Overall, both PBN and HBN samples show some degree of the resistance to neutron irradiation in terms of these basic physical properties. The interesting and important findings from this work can help us to gain an in-depth understanding of the influence of neutron irradiation on basic physical properties of hBN materials. These effects can be taken into account when designing and applying the hBN materials for neutron detectors. |
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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 |
001077086300001 |
Publication Date |
2023-08-09 |
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 ![sorted by ISSN field, ascending order (up)](img/sort_asc.gif) |
0022-2313 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.6 |
Times cited |
1 |
Open Access |
|
Notes |
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Approved |
Most recent IF: 3.6; 2023 IF: 2.686 |
Call Number |
UA @ admin @ c:irua:200393 |
Serial |
9047 |
Permanent link to this record |
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Author |
Chwiej, T.; Bednarek, S.; Adamowski, J.; Szafran, B.; Peeters, F.M. |
Title |
Coulomb-interaction driven anomaly in the Stark effect for an exciton in vertically coupled quantum dots |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Journal of luminescence
T2 – 6th International Conference on Excitonic Processes in Condensed Matter, (EXCON 04), JUL 06-09, 2004, Cracow, POLAND |
Abbreviated Journal |
J Lumin |
Volume |
112 |
Issue |
1-4 |
Pages |
122-126 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The effect of the electric field on an exciton confined in a pair of vertically coupled quantum dots is studied. We use a single-band approximation and a parabolic model potential. As a result of these idealizations, we obtain a numerically solvable model, which is used to describe the influence of the electron-hole interaction on the Stark effect for the lowest-energy photo luminescence lines. We show that for intermediate tunnel coupling between the dots this interaction leads to an anomalous Stark effect with an essential deviation of the recombination energy from the usual quadratic dependence on the electric field. (c) 2004 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 |
000228439600029 |
Publication Date |
2004-12-06 |
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 ![sorted by ISSN field, ascending order (up)](img/sort_asc.gif) |
0022-2313; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.686 |
Times cited |
10 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.686; 2005 IF: 1.518 |
Call Number |
UA @ lucian @ c:irua:103675 |
Serial |
532 |
Permanent link to this record |
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Author |
Ludu, A.; Van Deun, J.; Milošević, M.V.; Cuyt, A.; Peeters, F.M. |
Title |
Analytic treatment of vortex states in cylindrical superconductors in applied axial magnetic field |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Journal of mathematical physics |
Abbreviated Journal |
J Math Phys |
Volume |
51 |
Issue |
8 |
Pages |
082903,1-082903,29 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We solve the linear GinzburgLandau (GL) equation in the presence of a uniform magnetic field with cylindrical symmetry and we find analytic expressions for the eigenfunctions in terms of the confluent hypergeometric functions. The discrete spectrum results from an implicit equation associated to the boundary conditions and it is resolved in analytic form using the continued fractions formalism. We study the dependence of the spectrum and the eigenfunctions on the sample size and the surface conditions for solid and hollow cylindrical superconductors. Finally, the solutions of the nonlinear GL formalism are constructed as expansions in the linear GL eigenfunction basis and selected by minimization of the free energy. We present examples of vortex states and their energies for different samples in enhancing/suppressing superconductivity surroundings. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000281905000026 |
Publication Date |
2010-08-23 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN ![sorted by ISSN field, ascending order (up)](img/sort_asc.gif) |
0022-2488; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.077 |
Times cited |
10 |
Open Access |
|
Notes |
; ; |
Approved |
Most recent IF: 1.077; 2010 IF: 1.291 |
Call Number |
UA @ lucian @ c:irua:84880 |
Serial |
106 |
Permanent link to this record |
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Author |
Berdiyorov, G.R.; Cabral, L.R.E.; Peeters, F.M. |
Title |
Surface barrier for flux entry and exit in mesoscopic superconducting systems |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Journal of mathematical physics |
Abbreviated Journal |
J Math Phys |
Volume |
46 |
Issue |
9 |
Pages |
095105 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The energy barrier which has to be overcome for a single vortex to enter or exit the sample is studied for thin superconducting disks, rings, and squares using the nonlinear Ginzburg-Landau theory. The shape and the height of the nucleation barrier is investigated for different sample radii and thicknesses and for different values of the Ginzburg-Landau parameter kappa. It is shown that the London theory considerably overestimates (underestimates) the energy barrier for vortex expulsion (penetration). (c) 2005 American Institute of Physics. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000232206700005 |
Publication Date |
2005-09-28 |
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 ![sorted by ISSN field, ascending order (up)](img/sort_asc.gif) |
0022-2488; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.077 |
Times cited |
18 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.077; 2005 IF: 1.192 |
Call Number |
UA @ lucian @ c:irua:103142 |
Serial |
3393 |
Permanent link to this record |
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Author |
Goncalves, W.C.; Sardella, E.; Becerra, V.F.; Milošević, M.V.; Peeters, F.M. |
Title |
Numerical solution of the time dependent Ginzburg-Landau equations for mixed (d plus s)-wave superconductors |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Journal of mathematical physics |
Abbreviated Journal |
J Math Phys |
Volume |
55 |
Issue |
4 |
Pages |
041501 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The time-dependent Ginzburg-Landau formalism for (d + s)-wave superconductors and their representation using auxiliary fields is investigated. By using the link variable method, we then develop suitable discretization of these equations. Numerical simulations are carried out for a mesoscopic superconductor in a homogeneous perpendicular magnetic field which revealed peculiar vortex states. (C) 2014 AIP Publishing LLC. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000336084100001 |
Publication Date |
2014-04-16 |
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 ![sorted by ISSN field, ascending order (up)](img/sort_asc.gif) |
0022-2488;1089-7658; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.077 |
Times cited |
6 |
Open Access |
|
Notes |
; We thank the Brazilian Agency FAPESP and Flemish Science Foundation (FSF) (FWO-Vlaanderen) for financial support. M. V. M. acknowledges support from the CAPES-PVE program. ; |
Approved |
Most recent IF: 1.077; 2014 IF: 1.243 |
Call Number |
UA @ lucian @ c:irua:117728 |
Serial |
2407 |
Permanent link to this record |
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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 |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Luton |
Editor |
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Language |
|
Wos |
000265870200058 |
Publication Date |
2008-12-26 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
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ISSN ![sorted by ISSN field, ascending order (up)](img/sort_asc.gif) |
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 |
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|
Author |
Li, B.; Partoens, B.; Peeters, F.M.; Magnus, W. |
Title |
Dielectric mismatch effect on coupled impurity states in a freestanding nanowire |
Type |
A1 Journal article |
Year |
2009 |
Publication |
Microelectronics journal |
Abbreviated Journal |
Microelectron J |
Volume |
40 |
Issue |
3 |
Pages |
446-448 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We studied the coupled impurity states in a freestanding semiconductor nanowire (NW), within the effective mass approximation and including the effect of the dielectric mismatch, by using finite element method. Bonding and anti-bonding states are found and their energies converge with increasing distance di between the two impurities. The dependence of the binding energy on the wire radius R and the distance di between the two impurities is investigated, and we compare it with the result of a freestanding NW that contains a single impurity. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Luton |
Editor |
|
Language |
|
Wos |
000264694700017 |
Publication Date |
2008-07-30 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN ![sorted by ISSN field, ascending order (up)](img/sort_asc.gif) |
0026-2692; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.163 |
Times cited |
4 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.163; 2009 IF: 0.778 |
Call Number |
UA @ lucian @ c:irua:76410 |
Serial |
690 |
Permanent link to this record |
|
|
|
Author |
Slachmuylders, A.F.; Partoens, B.; Magnus, W.; Peeters, F.M. |
Title |
Neutral shallow donors near a metallic interface |
Type |
A1 Journal article |
Year |
2009 |
Publication |
Microelectronics journal |
Abbreviated Journal |
Microelectron J |
Volume |
40 |
Issue |
4/5 |
Pages |
753-755 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The effect of a metallic gate on the bound states of a shallow donor located near the gate is studied. We calculate the energy spectrum as a function of the distance between the metallic gate and the donor and find an anti-crossing behavior in the energy levels for certain distances. We show how a transverse electric field can tune the average position of the electron with respect to the metallic gate and the impurity. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Luton |
Editor |
|
Language |
|
Wos |
000265870200024 |
Publication Date |
2009-02-04 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN ![sorted by ISSN field, ascending order (up)](img/sort_asc.gif) |
0026-2692; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.163 |
Times cited |
1 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.163; 2009 IF: 0.778 |
Call Number |
UA @ lucian @ c:irua:77029 |
Serial |
2296 |
Permanent link to this record |
|
|
|
Author |
Milton Pereira, J.; Vasilopoulos, P.; Peeters, F.M. |
Title |
Resonant tunneling in graphene microstructures |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Microelectronics journal |
Abbreviated Journal |
Microelectron J |
Volume |
39 |
Issue |
3-4 |
Pages |
534-536 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Luton |
Editor |
|
Language |
|
Wos |
000255600600055 |
Publication Date |
2007-08-30 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN ![sorted by ISSN field, ascending order (up)](img/sort_asc.gif) |
0026-2692; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.163 |
Times cited |
9 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.163; 2008 IF: 0.859 |
Call Number |
UA @ lucian @ c:irua:68850 |
Serial |
2892 |
Permanent link to this record |
|
|
|
Author |
Mlinar, V.; Peeters, F.M. |
Title |
Theoretical study of InAs/GaAs quantum dots grown on [11k] substrates in the presence of a magnetic field |
Type |
A1 Journal article |
Year |
2006 |
Publication |
Microelectronics journal |
Abbreviated Journal |
Microelectron J |
Volume |
37 |
Issue |
12 |
Pages |
1427-1429 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Luton |
Editor |
|
Language |
|
Wos |
000242907400002 |
Publication Date |
2006-07-08 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN ![sorted by ISSN field, ascending order (up)](img/sort_asc.gif) |
0026-2692; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
1.163 |
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.163; 2006 IF: 0.651 |
Call Number |
UA @ lucian @ c:irua:62325 |
Serial |
3612 |
Permanent link to this record |
|
|
|
Author |
Mlinar, V.; Peeters, F.M. |
Title |
Tuning of the optical properties of (11k) grown InAs quantum dots by the capping layer |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Microelectronics journal |
Abbreviated Journal |
Microelectron J |
Volume |
39 |
Issue |
3-4 |
Pages |
359-361 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Luton |
Editor |
|
Language |
|
Wos |
000255600600013 |
Publication Date |
2007-09-05 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN ![sorted by ISSN field, ascending order (up)](img/sort_asc.gif) |
0026-2692; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
1.163 |
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.163; 2008 IF: 0.859 |
Call Number |
UA @ lucian @ c:irua:68849 |
Serial |
3753 |
Permanent link to this record |
|
|
|
Author |
Janssens, K.L.; Partoens, B.; Peeters, F.M. |
Title |
Type II quantum dots in magnetic fields: excitonic behaviour |
Type |
A1 Journal article |
Year |
2003 |
Publication |
Microelectronics journal |
Abbreviated Journal |
Microelectron J |
Volume |
34 |
Issue |
|
Pages |
347-350 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Luton |
Editor |
|
Language |
|
Wos |
000183607400007 |
Publication Date |
2003-04-23 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN ![sorted by ISSN field, ascending order (up)](img/sort_asc.gif) |
0026-2692; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.163 |
Times cited |
1 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.163; 2003 IF: 0.565 |
Call Number |
UA @ lucian @ c:irua:62450 |
Serial |
3790 |
Permanent link to this record |