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Author |
Akgenc, B.; Sarikurt, S.; Yagmurcukardes, M.; Ersan, F. |
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Title |
Aluminum and lithium sulfur batteries : a review of recent progress and future directions |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Journal Of Physics-Condensed Matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
33 |
Issue |
25 |
Pages |
253002 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Advanced materials with various micro-/nanostructures have attracted plenty of attention for decades in energy storage devices such as rechargeable batteries (ion- or sulfur based batteries) and supercapacitors. To improve the electrochemical performance of batteries, it is uttermost important to develop advanced electrode materials. Moreover, the cathode material is also important that it restricts the efficiency and practical application of aluminum-ion batteries. Among the potential cathode materials, sulfur has become an important candidate material for aluminum-ion batteries cause of its considerable specific capacity. Two-dimensional materials are currently potential candidates as electrodes from lab-scale experiments to possible pragmatic theoretical studies. In this review, the fundamental principles, historical progress, latest developments, and major problems in Li-S and Al-S batteries are reviewed. Finally, future directions in terms of the experimental and theoretical applications have prospected. |
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Wos |
000655281200001 |
Publication Date |
2021-04-22 |
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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 |
0953-8984 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.649 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 2.649 |
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Call Number |
UA @ admin @ c:irua:179034 |
Serial |
6971 |
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Permanent link to this record |
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Author |
Kong, X.; Li, L.; Peeters, F.M. |
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Title |
Graphene-based heterostructures with moire superlattice that preserve the Dirac cone: a first-principles study |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
31 |
Issue |
25 |
Pages |
255302 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
In van der Waals heterostructures consisting of graphene and a substrate, lattice mismatch often leads to a moire pattern with a huge supercell, preventing its treatment within first- principles calculations. Previous theoretical works considered mostly simple stacking models such as AB, AA with straining the lattice of graphene to match that of the substrate. Here, we propose a moire superlattice build from graphene and porous graphene or graphyne like monolayers, having a lower interlayer binding energy, needing little strain in order to match the lattices. In contrast to the results from the simple stacking models, the present ab initio calculations for the moire superlattices show different properties in lattice structure, energy, and band structures. For example, the Dirac cone at the K point is preserved and a linear energy dispersion near the Fermi level is obtained. |
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Wos |
000464184300001 |
Publication Date |
2019-03-25 |
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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 |
0953-8984 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.649 |
Times cited |
5 |
Open Access |
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Notes |
; This work is supported by the Collaborative Innovation Center of Quantum Matter, the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl) and the FLAG-ERA project TRANS-2D-TMD. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation-Flanders (FWO) and the Flemish Government-department EWI, and the National Supercomputing Center in Tianjin, funded by the Collaborative Innovation Center of Quantum Matter. ; |
Approved |
Most recent IF: 2.649 |
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Call Number |
UA @ admin @ c:irua:159314 |
Serial |
5215 |
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Permanent link to this record |
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Author |
Zhu, J.; Badalyan, S.M.; Peeters, F.M. |
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Title |
Electron-phonon bound states in graphene in a perpendicular magnetic field |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
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Volume |
109 |
Issue |
25 |
Pages |
256602-256605 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The spectrum of electron-phonon complexes in monolayer graphene is investigated in the presence of a perpendicular quantizing magnetic field. Despite the small electron-phonon coupling, usual perturbation theory is inapplicable for the calculation of the scattering amplitude near the threshold of optical phonon emission. Our findings, beyond perturbation theory, show that the true spectrum near the phonon-emission threshold is completely governed by new branches, corresponding to bound states of an electron and an optical phonon with a binding energy of the order of alpha omega(0), where alpha is the electron-phonon coupling and omega(0) the phonon energy. DOI: 10.1103/PhysRevLett.109.256602 |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000312841700011 |
Publication Date |
2012-12-22 |
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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 |
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Impact Factor |
8.462 |
Times cited |
19 |
Open Access |
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Notes |
; We acknowledge support from the Belgian Science Policy (BELSPO) and EU, the ESF EuroGRAPHENE project CONGRAN, and the Flemisch Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 8.462; 2012 IF: 7.943 |
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Call Number |
UA @ lucian @ c:irua:105962 |
Serial |
983 |
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Permanent link to this record |
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Author |
Kanda, A.; Baelus, B.J.; Peeters, F.M.; Kadowaki, K.; Ootuka, Y. |
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Title |
Experimental evidence for giant vortex states in a mesoscopic superconducting disk |
Type |
A1 Journal article |
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Year |
2004 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
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Volume |
93 |
Issue |
25 |
Pages |
257002,1-4 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Place of Publication |
New York, N.Y. |
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Wos |
000225785200056 |
Publication Date |
2004-12-15 |
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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 |
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Impact Factor |
8.462 |
Times cited |
234 |
Open Access |
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Notes |
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Approved |
Most recent IF: 8.462; 2004 IF: 7.218 |
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Call Number |
UA @ lucian @ c:irua:69420 |
Serial |
1139 |
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Permanent link to this record |
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Author |
Conti, S.; Perali, A.; Peeters, F.M.; Neilson, D. |
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Title |
Multicomponent electron-hole superfluidity and the BCS-BEC crossover in double bilayer graphene |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
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Volume |
119 |
Issue |
25 |
Pages |
257002 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
<script type='text/javascript'>document.write(unpmarked('Superfluidity in coupled electron-hole sheets of bilayer graphene is predicted here to be multicomponent because of the conduction and valence bands. We investigate the superfluid crossover properties as functions of the tunable carrier densities and the tunable energy band gap Eg. For small band gaps there is a significant boost in the two superfluid gaps, but the interaction-driven excitations from the valence to the conduction band can weaken the superfluidity, even blocking the system from entering the Bose-Einstein condensate (BEC) regime at low densities. At a given larger density, a band gap E-g similar to 80-120 meV can carry the system into the strong-pairing multiband BCS-BEC crossover regime, the optimal range for realization of high-Tc superfluidity.')); |
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Corporate Author |
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Place of Publication |
New York, N.Y. |
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Wos |
000418619100017 |
Publication Date |
2017-12-22 |
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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 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.462 |
Times cited |
18 |
Open Access |
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Notes |
; We thank Mohammad Zarenia for useful discussions. Part of this work was supported by FWO-VI (Flemish Science Foundation) and the Methusalem program. ; |
Approved |
Most recent IF: 8.462 |
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Call Number |
UA @ lucian @ c:irua:148509 |
Serial |
4885 |
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Permanent link to this record |
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Author |
Saniz, R.; Dixit, H.; Lamoen, D.; Partoens, B. |
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Title |
Quasiparticle energies and uniaxial pressure effects on the properties of SnO2 |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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Volume |
97 |
Issue |
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Pages |
261901-261901,3 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
We calculate the quasiparticle energy spectrum of SnO2 within the GW approximation, properly taking into account the contribution of core levels to the energy corrections. The calculated fundamental gap is of 3.85 eV. We propose that the difference with respect to the experimental optical gap (3.6 eV) is due to excitonic effects in the latter. We further consider the effect applied on uniaxial pressure along the c-axis. Compared to GW, the effect of pressure on the quasiparticle energies and band gap is underestimated by the local-density approximation. The quasiparticle effective masses, however, appear to be well described by the latter. |
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Corporate Author |
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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 |
000285768100015 |
Publication Date |
2010-12-28 |
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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 |
0003-6951; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.411 |
Times cited |
23 |
Open Access |
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Notes |
Iwt; Fwo; Bof-Noi |
Approved |
Most recent IF: 3.411; 2010 IF: 3.841 |
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Call Number |
UA @ lucian @ c:irua:85759 |
Serial |
2803 |
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Permanent link to this record |
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Author |
Neek-Amal, M.; Sadeghi, A.; Berdiyorov, G.R.; Peeters, F.M. |
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Title |
Realization of free-standing silicene using bilayer graphene |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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Volume |
103 |
Issue |
26 |
Pages |
261904-4 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The available synthesized silicene-like structures have been only realized on metallic substrates which are very different from the standalone buckled silicene, e. g., the Dirac cone of silicene is destroyed due to lattice distortion and the interaction with the substrate. Using graphene bilayer as a scaffold, a route is proposed to synthesize silicene with electronic properties decoupled from the substrate. The buckled hexagonal arrangement of silicene between the graphene layers is found to be very similar to the theoretically predicted standalone buckled silicene which is only very weakly van der Waals coupled to the graphene layers with a graphite-like interlayer distance of 3.42 angstrom and without any lattice distortion. We found that these stacked layers are stable well above room temperature. (C) 2013 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 |
000329977400022 |
Publication Date |
2013-12-26 |
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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 |
0003-6951;1077-3118; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.411 |
Times cited |
74 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. M.N.-A. was supported by the EU-Marie Curie IIF postdoc Fellowship/299855. ; |
Approved |
Most recent IF: 3.411; 2013 IF: 3.515 |
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Call Number |
UA @ lucian @ c:irua:114849 |
Serial |
2837 |
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Permanent link to this record |
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Author |
Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M. |
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Title |
Spatially dependent sensitivity of superconducting meanders as single-photon detectors |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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Volume |
100 |
Issue |
26 |
Pages |
262603 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The photo-response of a thin current-carrying superconducting stripe with a 90 degrees turn is studied within the time-dependent Ginzburg-Landau theory. We show that the photon acting near the inner corner (where the current density is maximal due to the current crowding [J. R. Clem and K. K. Berggren, Phys. Rev. B 84, 174510 (2011)]) triggers the nucleation of superconducting vortices at currents much smaller than the expected critical one, but does not bring the system to a higher resistive state and thus remains undetected. The transition to the resistive state occurs only when the photon hits the stripe away from the corner due to there uniform current distribution across the sample, and dissipation is due to the nucleation of a kinematic vortex-antivortex pair near the photon incidence. We propose strategies to account for this problem in the measurements. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4731627] |
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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 |
000305831500057 |
Publication Date |
2012-06-28 |
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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 |
0003-6951; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.411 |
Times cited |
27 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-VI). G. R. B. acknowledges individual support from FWO-VI. ; |
Approved |
Most recent IF: 3.411; 2012 IF: 3.794 |
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Call Number |
UA @ lucian @ c:irua:100336 |
Serial |
3066 |
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Permanent link to this record |
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Author |
Peelaers, H.; Partoens, B.; Peeters, F.M. |
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Title |
Properties of B and P doped Ge nanowires |
Type |
A1 Journal article |
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Year |
2007 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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Volume |
90 |
Issue |
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Pages |
263103,1-3 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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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 |
000247625500068 |
Publication Date |
2007-06-25 |
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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 |
0003-6951; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.411 |
Times cited |
35 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.411; 2007 IF: 3.596 |
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Call Number |
UA @ lucian @ c:irua:69642 |
Serial |
2728 |
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Permanent link to this record |
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Author |
Gonzalez-Garcia, A.; Lopez-Perez, W.; Gonzalez-Hernandez, R.; Rodriguez, J.A.; Milošević, M.V.; Peeters, F.M. |
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Title |
Tunable 2D-gallium arsenide and graphene bandgaps in a graphene/GaAs heterostructure : an ab initio study |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
31 |
Issue |
26 |
Pages |
265502 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The bandgap behavior of 2D-GaAs and graphene have been investigated with van der Waals heterostructured into a yet unexplored graphene/GaAs bilayer, under both uniaxial stress along c axis and different planar strain distributions. The 2D-GaAs bandgap nature changes from Gamma-K indirect in isolated monolayer to Gamma-Gamma direct in graphene/GaAs bilayer. In the latter, graphene exhibits a bandgap of 5 meV. The uniaxial stress strongly affects the graphene electronic bandgap, while symmetric in-plane strain does not open the bandgap in graphene. Nevertheless, it induces remarkable changes on the GaAs bandgap-width around the Fermi level. However, when applying asymmetric in-plane strain to graphene/GaAs, the graphene sublattice symmetry is broken, and the graphene bandgap is open at the Fermi level to a maximum width of 814 meV. This value is much higher than that reported for just graphene under asymmetric strain. The Gamma-Gamma direct bandgap of GaAs remains unchanged in graphene/ GaAs under different types of applied strain. The analyses of phonon dispersion and the elastic constants yield the dynamical and mechanical stability of the graphene/GaAs system, respectively. The calculated mechanical properties for bilayer heterostructure are better than those of their constituent monolayers. This finding, together with the tunable graphene bandgap not only by the strength but also by the direction of the strain, enhance the potential for strain engineering of ultrathin group-III-V electronic devices hybridized by graphene. |
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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 |
000465887100001 |
Publication Date |
2019-03-06 |
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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 |
0953-8984 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.649 |
Times cited |
10 |
Open Access |
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Notes |
; This work has been carried out with the financial support of Universidad del Norte and Colciencias (Administrative Department of Science, Technology and Research of Colombia) under Convocatoria 712-Convocatoria para proyectos de investigacion en Ciencias Basicas, ano 2015, Cod: 121571250192, Contrato 110-216; and the partial support of DGAPA-UNAM project IN114817-3. The authors gratefully acknowledge the support from the High Performance Computing core facility CalcUA and the TOPBOF project at the University of Antwerp, Belgium; DGTIC-UNAM under project LANCAD-UNAM-DGTIC-150, and the computing time granted on the supercomputer Mogon at Johannes Gutenberg University Mainz (hpc.uni-mainz.de). ; |
Approved |
Most recent IF: 2.649 |
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Call Number |
UA @ admin @ c:irua:160216 |
Serial |
5236 |
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Permanent link to this record |
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Author |
Chen, Y.; Shanenko, A.A.; Croitoru, M.D.; Peeters, F.M. |
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Title |
Quantum cascades in nano-engineered superconductors : geometrical, thermal and paramagnetic effects |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
24 |
Issue |
26 |
Pages |
265702 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The effect of a parallel magnetic field on the orbital motion of electrons in high-quality superconducting nanowires resulting in a superconductor-to-normal transition which occurs through a cascade of jumps in the order parameter as a function of the magnetic field. Such cascades originate from the transverse size quantization that splits the conduction band into a series of subbands. Here, based on a numerical solution of the Bogoliubov-de Gennes equations for a hollow nanocylinder, we investigate how the quantum-size cascades depend on the confining geometry, i.e., by changing the cylinder radius R and its thickness d we cover the range from the nanowire-like to the nanofilm-like regime. The cascades are shown to become much less pronounced when increasing R/d, i.e., when the nanofilm-like regime is approached. When the temperature is non-zero they are thermally smoothed. This includes the spin-magnetic-field interaction which reduces the critical (depairing) parallel magnetic field H-c,H-parallel to but does not have any qualitative effect on the quantum cascades. From our calculations it is seen that the paramagnetic limiting field H-par significantly exceeds H-c,H-parallel to even in extremely narrow nanocylinders, i.e., when R, d are down to a few nanometers, and H-c,H-parallel to is only about 10% larger when switching-off the spin-magnetic-field interaction in this case. Both characteristic fields, H-c,H-parallel to and H-par, exhibit pronounced quantum-size oscillations. We demonstrate that the quantum cascades and the quantum-size oscillations survive in the presence of surface roughness. |
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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 |
London |
Editor |
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Language |
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Wos |
000305640800014 |
Publication Date |
2012-06-07 |
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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 |
0953-8984;1361-648X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.649 |
Times cited |
6 |
Open Access |
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|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-VI) and the ESF-AQDJJ network. MDC acknowledges the support of the EU Marie Curie IEF Action (Grant Agreement No. PIEF-GA-2009-235486-ScQSR). ; |
Approved |
Most recent IF: 2.649; 2012 IF: 2.355 |
|
|
Call Number |
UA @ lucian @ c:irua:100281 |
Serial |
2773 |
|
Permanent link to this record |
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Author |
Berdiyorov, G.R.; Hernandez, A.D.; Peeters, F.M. |
|
|
Title |
Confinement effects on intermediate-state flux patterns in mesoscopic type-I superconductors |
Type |
A1 Journal article |
|
Year |
2009 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
|
|
Volume |
103 |
Issue |
26 |
Pages |
267002,1-267002,4 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
Intermediate-state flux structures in mesoscopic type-I superconductors are studied within the Ginzburg-Landau theory. In addition to well-established tubular and laminar structures, the strong confinement leads to the formation of (i) a phase of singly quantized vortices, which is typical for type-II superconductors and (ii) a ring of a normal domain at equilibrium. The stability region and the formation process of these intermediate-state structures are strongly influenced by the geometry of the sample. |
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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 |
New York, N.Y. |
Editor |
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Language |
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Wos |
000273232200042 |
Publication Date |
2009-12-29 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0031-9007;1079-7114; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
8.462 |
Times cited |
28 |
Open Access |
|
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|
Notes |
|
Approved |
Most recent IF: 8.462; 2009 IF: 7.328 |
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|
Call Number |
UA @ lucian @ c:irua:80574 |
Serial |
488 |
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Permanent link to this record |
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Author |
Milošević, M.V.; Peeters, F.M. |
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Title |
Vortex-antivortex lattices in superconducting films with magnetic pinning arrays |
Type |
A1 Journal article |
|
Year |
2004 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
|
|
Volume |
93 |
Issue |
|
Pages |
267006,1-4 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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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 |
New York, N.Y. |
Editor |
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Language |
|
Wos |
000226054600058 |
Publication Date |
2004-12-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
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|
ISSN |
0031-9007;1079-7114; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
8.462 |
Times cited |
105 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 8.462; 2004 IF: 7.218 |
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|
Call Number |
UA @ lucian @ c:irua:57242 |
Serial |
3854 |
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Permanent link to this record |
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Author |
Croitoru, M.D.; Shanenko, A.A.; Kaun, C.C.; Peeters, F.M. |
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Title |
Ultra-small metallic grains : effect of statistical fluctuations of the chemical potential on superconducting correlations and vice versa |
Type |
A1 Journal article |
|
Year |
2012 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
|
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Volume |
24 |
Issue |
27 |
Pages |
275701 |
|
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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|
Abstract |
Superconducting correlations in an isolated metallic grain are governed by the interplay between two energy scales: the mean level spacing delta and the bulk pairing gap Delta(0), which are strongly influenced by the position of the chemical potential with respect to the closest single-electron level. In turn superconducting correlations affect the position of the chemical potential. Within the parity projected BCS model we investigate the probability distribution of the chemical potential in a superconducting grain with randomly distributed single-electron levels. Taking into account statistical fluctuations of the chemical potential due to the pairing interaction, we find that such fluctuations have a significant impact on the critical level spacing delta(c) at which the superconducting correlations cease: the critical ratio delta(c)/Delta(0) at which superconductivity disappears is found to be increased. |
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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 |
London |
Editor |
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Language |
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Wos |
000305653100012 |
Publication Date |
2012-06-21 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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|
ISSN |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.649 |
Times cited |
9 |
Open Access |
|
|
|
Notes |
; This work was supported by the European Community under the Marie Curie IEF Action (Grant Agreement No. PIEF-GA-2009-235486-ScQSR), the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the ESF network INSTANS. MDC and AAS are grateful to A Vagov for stimulating discussions. ; |
Approved |
Most recent IF: 2.649; 2012 IF: 2.355 |
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|
Call Number |
UA @ lucian @ c:irua:100280 |
Serial |
3793 |
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Permanent link to this record |
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Author |
Rakhimov, K.Y.; Chaves, A.; Farias, G.A.; Peeters, F.M. |
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Title |
Wavepacket scattering of Dirac and Schrödinger particles on potential and magnetic barriers |
Type |
A1 Journal article |
|
Year |
2011 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
|
|
Volume |
23 |
Issue |
27 |
Pages |
275801,1-275801,16 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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|
Abstract |
We investigate the dynamics of a charged particle moving in a graphene layer and in a two-dimensional electron gas, where it obeys the Dirac and the Schrödinger equations, respectively. The charge carriers are described as Gaussian wavepackets. The dynamics of the wavepackets is studied numerically by solving both quantum-mechanical and relativistic equations of motion. The scattering of such wavepackets by step-like magnetic and potential barriers is analysed for different values of wavepacket energy and width. We find: (1) that the average position of the wavepacket does not coincide with the classical trajectory, and (2) that, for slanted incidence, the path of the centre of mass of the wavepacket does not have to penetrate the barrier during the scattering process. Trembling motion of the charged particle in graphene is observed in the absence of an external magnetic field and can be enhanced by a substrate-induced mass term. |
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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 |
London |
Editor |
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Language |
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Wos |
000291993600009 |
Publication Date |
2011-06-18 |
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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 |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.649 |
Times cited |
32 |
Open Access |
|
|
|
Notes |
; Discussions with A Matulis are gratefully acknowledged. KR is beneficiary of a mobility grant from the Belgian Federal Science Policy Office, co-funded by the European Commission and was supported in part by a grant of the Third World Academy of Sciences (ref. 09-188 RG/PHYS/AS-I). In addition, this work was financially supported by CNPq, under contract NanoBioEstruturas 555183/2005-0, PRONEX/FUNCAP, CAPES, the Bilateral programme between Flanders and Brazil, the joint project CNPq-FWO, the Belgian Science Policy (IAP) and the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 2.649; 2011 IF: 2.546 |
|
|
Call Number |
UA @ lucian @ c:irua:90880 |
Serial |
3908 |
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Permanent link to this record |
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Author |
Vanherck, J.; Sorée, B.; Magnus, W. |
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Title |
Anisotropic bulk and planar Heisenberg ferromagnets in uniform, arbitrarily oriented magnetic fields |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
30 |
Issue |
27 |
Pages |
275801 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Today, further downscaling of mobile electronic devices poses serious problems, such as energy consumption and local heat dissipation. In this context, spin wave majority gates made of very thin ferromagnetic films may offer a viable alternative. However, similar downscaling of magnetic thin films eventually enforces the latter to operate as quasi-2D magnets, the magnetic properties of which are not yet fully understood, especially those related to anisotropies and external magnetic fields in arbitrary directions. To this end, we have investigated the behaviour of an easy-plane and easy-axis anisotropic ferromagnet-both in two and three dimensions-subjected to a uniform magnetic field, applied along an arbitrary direction. In this paper, a spin-1/2 Heisenberg Hamiltonian with anisotropic exchange interactions is solved using double-time temperature-dependent Green's functions and the Tyablikov decoupling approximation. We determine various magnetic properties such as the Curie temperature and the magnetization as a function of temperature and the applied magnetic field, discussing the impact of the system's dimensionality and the type of anisotropy. The magnetic reorientation transition taking place in anisotropic Heisenberg ferromagnets is studied in detail. Importantly, spontaneous magnetization is found to be absent for easy-plane 2D spin systems with short range interactions. |
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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 |
London |
Editor |
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Language |
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Wos |
000434980600001 |
Publication Date |
2018-05-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.649 |
Times cited |
|
Open Access |
|
|
|
Notes |
; ; |
Approved |
Most recent IF: 2.649 |
|
|
Call Number |
UA @ lucian @ c:irua:151945UA @ admin @ c:irua:151945 |
Serial |
5012 |
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Permanent link to this record |
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Author |
Oncel, N.; Çakir, D.; Dil, J.H.; Slomski, B.; Landolt, G. |
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Title |
Angle-resolved synchrotron photoemission and density functional theory on the iridium modified Si(111) surface |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
26 |
Issue |
28 |
Pages |
285501 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The physical and electronic properties of the Ir modified Si(1 1 1) surface have been investigated with the help of angle resolved photoemission spectroscopy and density functional theory. The surface consists of Ir-ring clusters that form a root 7 x root 7 -R19.1 degrees reconstruction. A comparison between the measured and calculated band structure of the system reveals that the dispersions of the projected bulk states and the states originating from '1x1' domains are heavily modified due to Umklapp scattering from the surface Brillouin zone. Density of states calculations show that Ir-ring clusters contribute to the states in the vicinity of the Fermi level. |
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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 |
London |
Editor |
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Language |
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Wos |
000338830300019 |
Publication Date |
2014-06-19 |
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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 |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.649 |
Times cited |
4 |
Open Access |
|
|
|
Notes |
; This work was partially supported by the National Science Foundation (DMR-1306101), North Dakota EPSCoR office (NSF grant #EPS-814442), the University of North Dakota and the Swiss National Science Foundation. Computer resources used in this work partially provided by Computational Research Center (HPC-Linux cluster) at UND and TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). ; |
Approved |
Most recent IF: 2.649; 2014 IF: 2.346 |
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|
Call Number |
UA @ lucian @ c:irua:118636 |
Serial |
114 |
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Permanent link to this record |
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Author |
Aierken, Y.; Sevik, C.; Gulseren, O.; Peeters, F.M.; Çakir, D. |
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Title |
In pursuit of barrierless transition metal dichalcogenides lateral heterojunctions |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
|
|
Volume |
29 |
Issue |
29 |
Pages |
295202 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
There is an increasing need to understand interfaces between two-dimensional materials to realize an energy efficient boundary with low contact resistance and small heat dissipation. In this respect, we investigated the impact of charge and substitutional atom doping on the electronic transport properties of the hybrid metallic-semiconducting lateral junctions, formed between metallic (1T and 1T(d)) and semiconducting (1H) phases of MoS2 by means of first-principles and non-equilibrium Green function formalism based calculations. Our results clearly revealed the strong influence of the type of interface and crystallographic orientation of the metallic phase on the transport properties of these systems. The Schottky barrier height, which is the dominant mechanism for contact resistance, was found to be as large as 0.63 eV and 1.19 eV for holes and electrons, respectively. We found that armchair interfaces are more conductive as compared to zigzag termination due to the presence of the metallic Mo zigzag chains that are directed along the transport direction. In order to manipulate these barrier heights we investigated the influence of electron doping of the metallic part (i.e. 1T(d) -MoS2). We observed that the Fermi level of the hybrid system moves towards the conduction band of semiconducting 1H-MoS2 due to filling of 4d-orbital of metallic MoS2, and thus the Schottky barrier for electrons decreases considerably. Besides electron doping, we also investigated the effect of substitutional doping of metallic MoS2 by replacing Mo atoms with either Re or Ta. Due to its valency, Re (Ta) behaves as a donor (acceptor) and reduces the Schottky barrier for electrons (holes). Since Re and Ta based transition metal dichalcogenides crystallize in either the 1T(d) or 1T phase, substitutional doping with these atom favors the stabilization of the 1T(d) phase of MoS2. Co-doping of hybrid structure results in an electronic structure, which facilities easy dissociation of excitons created in the 1H part. |
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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 |
Bristol |
Editor |
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Language |
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Wos |
000432823800002 |
Publication Date |
2018-05-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
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ISSN |
0957-4484 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.44 |
Times cited |
4 |
Open Access |
|
|
|
Notes |
; This work was supported by the bilateral project between the The Scientific and Technological Research Council of Turkey (TUBITAK) and FWO-Flanders, Flemish Science Foundation (FWO-VI) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRGrid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. We acknowledge the support from TUBITAK (Grant No. 115F024). ; |
Approved |
Most recent IF: 3.44 |
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|
Call Number |
UA @ lucian @ c:irua:151451UA @ admin @ c:irua:151451 |
Serial |
5029 |
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Permanent link to this record |
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Author |
Bafekry, A.; Stampfl, C.; Ghergherehchi, M. |
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Title |
Strain, electric-field and functionalization induced widely tunable electronic properties in MoS2/BC3, /C3N and / C3N4 van der Waals heterostructures |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Nanotechnology (Bristol. Print) |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
295202 pp |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
In this paper, the effect of BC3, C3N and C3N4BC(3) and MoS2/C(3)N4 heterostructures are direct semiconductors with band gaps of 0.4 and 1.74 eV, respectively, while MoS2/C3N is a metal. Furthermore, the influence of strain and electric field on the electronic structure of these van der Waals heterostructures is investigated. The MoS2/BC3 heterostructure, for strains larger than -4%, transforms it into a metal where the metallic character is maintained for strains larger than -6%. The band gap decreases with increasing strain to 0.35 eV (at +2%), while for strain (>+6%) a direct-indirect band gap transition is predicted to occur. For the MoS2/C3N heterostructure, the metallic character persists for all strains considered. On applying an electric field, the electronic properties of MoS2/C3N4 are modified and its band gap decreases as the electric field increases. Interestingly, the band gap reaches 30 meV at +0.8 V/angstrom, and with increase above +0.8 V/angstrom, a semiconductor-to-metal transition occurs. Furthermore, we investigated effects of semi- and full-hydrogenation of MoS2/C3N and we found that it leads to a metallic and semiconducting character, respectively. |
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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 |
000532366000001 |
Publication Date |
2020-04-09 |
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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 |
0957-4484 |
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
19 |
Open Access |
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|
Notes |
; This work has supported by the National Research Foundation of Korea(NRF) grant funded by the Korea government(MSIT)(NRF-2017R1A2B2011989). ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:169523 |
Serial |
6444 |
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Permanent link to this record |
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Author |
Wang, S.; Tian, H.; Sun, M. |
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Title |
Valley-polarized and enhanced transmission in graphene with a smooth strain profile |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
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Volume |
35 |
Issue |
30 |
Pages |
304002-304013 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We explore the influence of strain on the valley-polarized transmission of graphene by employing the wave-function matching and the non-equilibrium Green's function technique. When the transmission is along the armchair direction, we show that the valley polarization and transmission can be improved by increasing the width of the strained region and increasing (decreasing) the extensional strain in the armchair (zigzag) direction. It is noted that the shear strain does not affect transmission and valley polarization. Furthermore, when we consider the smooth strain barrier, the valley-polarized transmission can be enhanced by increasing the smoothness of the strain barrier. We hope that our finding can shed new light on constructing graphene-based valleytronic and quantum computing devices by solely employing strain. |
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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 |
000977124700001 |
Publication Date |
2023-04-11 |
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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 |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.7 |
Times cited |
|
Open Access |
Not_Open_Access |
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Notes |
|
Approved |
Most recent IF: 2.7; 2023 IF: 2.649 |
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Call Number |
UA @ admin @ c:irua:196718 |
Serial |
8953 |
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Permanent link to this record |
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Author |
Scuracchio, P.; Dobry, A.; Costamagna, S.; Peeters, F.M. |
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Title |
Tuning the polarized quantum phonon transmission in graphene nanoribbons |
Type |
A1 Journal article |
|
Year |
2015 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
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Volume |
26 |
Issue |
26 |
Pages |
305401 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
We propose systems that allow a tuning of the phonon transmission function T(omega) in graphene nanoribbons by using C-13 isotope barriers, antidot structures, and distinct boundary conditions. Phonon modes are obtained by an interatomic fifth-nearest neighbor force-constant model (5NNFCM) and T(omega) is calculated using the non-equilibrium Green's function formalism. We show that by imposing partial fixed boundary conditions it is possible to restrict contributions of the in-plane phonon modes to T(omega) at low energy. On the contrary, the transmission functions of out-of-plane phonon modes can be diminished by proper antidot or isotope arrangements. In particular, we show that a periodic array of them leads to sharp dips in the transmission function at certain frequencies omega(nu) which can be pre-defined as desired by controlling their relative distance and size. With this, we demonstrated that by adequate engineering it is possible to govern the magnitude of the ballistic transmission functions T(omega) in graphene nanoribbons. We discuss the implications of these results in the design of controlled thermal transport at the nanoscale as well as in the enhancement of thermo-electric features of graphene-based materials. |
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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 |
Bristol |
Editor |
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Language |
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Wos |
000358675900010 |
Publication Date |
2015-07-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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ISSN |
0957-4484;1361-6528; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.44 |
Times cited |
5 |
Open Access |
|
|
|
Notes |
; Discussions with C E Repetto, C R Stia and K H Michel are gratefully acknowledged. This work was partially supported by the Flemish Science Foundation (FWO-Vl) and PIP 11220090100392 of CONICET (Argentina). We acknowledge funding from the FWO (Belgium)-MINCyT (Argentina) collaborative research project. ; |
Approved |
Most recent IF: 3.44; 2015 IF: 3.821 |
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Call Number |
c:irua:127186 |
Serial |
3759 |
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Permanent link to this record |
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Author |
Masir, M.R.; Vasilopoulos, P.; Peeters, F.M. |
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Title |
Graphene in inhomogeneous magnetic fields : bound, quasi-bound and scattering states |
Type |
A1 Journal article |
|
Year |
2011 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
|
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Volume |
23 |
Issue |
31 |
Pages |
315301,1-315301,14 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The electron states in graphene-based magnetic dot and magnetic ring structures and combinations of both are investigated. The corresponding spectra are studied as a function of the radii, the strengths of the inhomogeneous magnetic field and of a uniform background field, the strength of an electrostatic barrier and the angular momentum quantum number. In the absence of an external magnetic field we have only long-lived quasi-bound and scattering states and we assess their influence on the density of states. In addition, we consider elastic electron scattering by a magnetic dot, whose average B vanishes, and show that the Hall and longitudinal resistivities, as a function of the Fermi energy, exhibit a pronounced oscillatory structure due to the presence of quasi-bound states. Depending on the dot parameters this oscillatory structure differs substantially for energies below and above the first Landau level. |
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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 |
London |
Editor |
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Language |
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Wos |
000293008900002 |
Publication Date |
2011-07-16 |
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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 |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
2.649 |
Times cited |
38 |
Open Access |
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Notes |
; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE, the Canadian NSERC grant no. OGP0121756 and the Belgian Science Policy (IAP). We acknowledge discussions and correspondence with Professor A Matulis. ; |
Approved |
Most recent IF: 2.649; 2011 IF: 2.546 |
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Call Number |
UA @ lucian @ c:irua:91176 |
Serial |
1372 |
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Permanent link to this record |
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Author |
Bekaert, J.; Bringmans, L.; Milošević, M.V. |
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Title |
Ginzburg-Landau surface energy of multiband superconductors : derivation and application to selected systems |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
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|
Volume |
35 |
Issue |
32 |
Pages |
325602-325610 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We determine the energy of an interface between a multiband superconducting and a normal half-space, in presence of an applied magnetic field, based on a multiband Ginzburg-Landau (GL) approach. We obtain that the multiband surface energy is fully determined by the critical temperature, electronic densities of states, and superconducting gap functions associated with the different band condensates. This furthermore yields an expression for the thermodynamic critical magnetic field, in presence of an arbitrary number of contributing bands. Subsequently, we investigate the sign of the surface energy as a function of material parameters, through numerical solution of the GL equations. Here, we consider two distinct cases: (i) standard multiband superconductors with attractive interactions, and (ii) a three-band superconductor with a chiral ground state with phase frustration, arising from repulsive interband interactions. Furthermore, we apply this approach to several prime examples of multiband superconductors, such as metallic hydrogen and MgB2, based on microscopic parameters obtained from first-principles calculations. |
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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 |
000986281900001 |
Publication Date |
2023-05-03 |
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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 |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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|
Impact Factor |
2.7 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 2.7; 2023 IF: 2.649 |
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Call Number |
UA @ admin @ c:irua:196664 |
Serial |
8875 |
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Permanent link to this record |
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Author |
Sabzalipour, A.; Mir, M.; Zarenia, M.; Partoens, B. |
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Title |
Charge transport in magnetic topological ultra-thin films : the effect of structural inversion asymmetry |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Journal Of Physics-Condensed Matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
33 |
Issue |
32 |
Pages |
325702 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We study the effect of structural inversion asymmetry, induced by the presence of substrates or by external electric fields, on charge transport in magnetic topological ultra-thin films. We consider general orientations of the magnetic impurities. Our results are based on the Boltzmann formalism along with a modified relaxation time scheme. We show that the structural inversion asymmetry enhances the charge transport anisotropy induced by the magnetic impurities and when only one conduction subband contributes to the charge transport a dissipationless charge current is accessible. We demonstrate how a substrate or gate voltage can control the effect of the magnetic impurities on the charge transport, and how this depends on the orientation of the magnetic impurities. |
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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 |
000666698000001 |
Publication Date |
2021-05-28 |
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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 |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.649 |
Times cited |
1 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 2.649 |
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Call Number |
UA @ admin @ c:irua:179647 |
Serial |
6974 |
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Permanent link to this record |
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Author |
Varley, J.B.; Peelaers, H.; Janotti, A.; van de Walle, C.G. |
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Title |
Hydrogenated cation vacancies in semiconducting oxides |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
23 |
Issue |
33 |
Pages |
334212,1-334212,9 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Using first-principles calculations we have studied the electronic and structural properties of cation vacancies and their complexes with hydrogen impurities in SnO2, In2O3 and β-Ga2O3. We find that cation vacancies have high formation energies in SnO2 and In2O3 even in the most favorable conditions. Their formation energies are significantly lower in β-Ga2O3. Cation vacancies, which are compensating acceptors, strongly interact with H impurities resulting in complexes with low formation energies and large binding energies, stable up to temperatures over 730 °C. Our results indicate that hydrogen has beneficial effects on the conductivity of transparent conducting oxides: it increases the carrier concentration by acting as a donor in the form of isolated interstitials, and by passivating compensating acceptors such as cation vacancies; in addition, it potentially enhances carrier mobility by reducing the charge of negatively charged scattering centers. We have also computed vibrational frequencies associated with the isolated and complexed hydrogen, to aid in the microscopic identification of centers observed by vibrational spectroscopy. |
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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 |
London |
Editor |
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Language |
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Wos |
000294060600014 |
Publication Date |
2011-08-04 |
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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 |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.649 |
Times cited |
125 |
Open Access |
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Notes |
; We gratefully acknowledge useful discussions with M D Mc-Cluskey, O Bierwagen and J Speck. The work was supported by the NSF MRSEC Program (DMR05-20415), the Flemish Science Foundation (FWO-VI), the Belgian American Educational Foundation, and by Saint-Gobain Research, and made use of computing facilities at CNSI (NSF grant No. CHE-0321368), TeraGrid and TACC (NSF grant No. DMR070072N), and NERSC (DOE Office of Science Contract No. DE-AC02-05CH11231). ; |
Approved |
Most recent IF: 2.649; 2011 IF: 2.546 |
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Call Number |
UA @ lucian @ c:irua:92415 |
Serial |
1534 |
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Permanent link to this record |
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Author |
Tomak, A.; Bacaksiz, C.; Mendirek, G.; Sahin, H.; Hur, D.; Gorgun, K.; Senger, R.T.; Birer, O.; Peeters, F.M.; Zareie, H.M. |
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Title |
Structural changes in a Schiff base molecular assembly initiated by scanning tunneling microscopy tip |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
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Volume |
27 |
Issue |
27 |
Pages |
335601 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
We report the controlled self-organization and switching of newly designed Schiff base (E)-4-((4-(phenylethynyl) benzylidene) amino) benzenethiol (EPBB) molecules on a Au (111) surface at room temperature. Scanning tunneling microscopy and spectroscopy (STM/STS) were used to image and analyze the conformational changes of the EPBB molecules. The conformational change of the molecules was induced by using the STM tip while increasing the tunneling current. The switching of a domain or island of molecules was shown to be induced by the STM tip during scanning. Unambiguous fingerprints of the switching mechanism were observed via STM/STS measurements. Surface-enhanced Raman scattering was employed, to control and identify quantitatively the switching mechanism of molecules in a monolayer. Density functional theory calculations were also performed in order to understand the microscopic details of the switching mechanism. These calculations revealed that the molecular switching behavior stemmed from the strong interaction of the EPBB molecules with the STM tip. Our approach to controlling intermolecular mechanics provides a path towards the bottom-up assembly of more sophisticated molecular machines. |
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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 |
Bristol |
Editor |
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Language |
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Wos |
000383780500012 |
Publication Date |
2016-07-05 |
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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 |
0957-4484 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.44 |
Times cited |
2 |
Open Access |
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Notes |
; The authors acknowledge financial support from TUBITAK (PROJECT NO: 112T507). This work was also supported by the Flemish Science Foundation (FWO-Vl). Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid-Infrastructure). HS is supported by an FWO Pegasus Long Marie Curie Fellowship. ; |
Approved |
Most recent IF: 3.44 |
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Call Number |
UA @ lucian @ c:irua:137155 |
Serial |
4363 |
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Permanent link to this record |
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Author |
Bafekry, A.; Akgenc, B.; Ghergherehchi, M.; Peeters, F.M. |
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Title |
Strain and electric field tuning of semi-metallic character WCrCO₂ MXenes with dual narrow band gap |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Journal Of Physics-Condensed Matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
32 |
Issue |
35 |
Pages |
355504-355508 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Motivated by the recent successful synthesis of double-M carbides, we investigate structural and electronic properties of WCrC and WCrCO2 monolayers and the effects of biaxial and out-of-plane strain and electric field using density functional theory. WCrC and WCrCO2 monolayers are found to be dynamically stable. WCrC is metallic and WCrCO2 display semi-metallic character with narrow band gap, which can be controlled by strain engineering and electric field. WCrCO2 monolayer exhibits a dual band gap which is preserved in the presence of an electric field. The band gap of WCrCO2 monolayer increases under uniaxial strain while it becomes metallic under tensile strain, resulting in an exotic 2D double semi-metallic behavior. Our results demonstrate that WCrCO2 is a new platform for the study of novel physical properties in two-dimensional Dirac materials and which may provide new opportunities to realize high-speed low-dissipation devices. |
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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 |
000539375800001 |
Publication Date |
2020-04-29 |
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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 |
0953-8984 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.7 |
Times cited |
45 |
Open Access |
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Notes |
; This work was supported by the National Research Foundation of Korea(NRF) Grant funded by the Korea government(MSIT)(NRF-2017R1A2B2011989). In addition, this work was supported by the Flemish Science Foundation (FW0-Vl). ; |
Approved |
Most recent IF: 2.7; 2020 IF: 2.649 |
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Call Number |
UA @ admin @ c:irua:169756 |
Serial |
6616 |
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Permanent link to this record |
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Author |
Wang, M.; Chang, K.; Wang, L.G.; Dai, N.; Peeters, F.M. |
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Title |
Crystallographic plane tuning of charge and spin transport in semiconductor quantum wires |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
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Volume |
20 |
Issue |
36 |
Pages |
365202,1-365202,8 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We investigate theoretically the charge and spin transport in quantum wires grown along different crystallographic planes in the presence of the Rashba spinorbit interaction (RSOI) and the Dresselhaus spinorbit interaction (DSOI). We find that changing the crystallographic planes leads to a variation of the anisotropy of the conductance due to a different interplay between the RSOI and DSOI, since the DSOI is induced by bulk inversion asymmetry, which is determined by crystallographic plane. This interplay depends sensitively on the crystallographic planes, and consequently leads to the anisotropic charge and spin transport in quantum wires embedded in different crystallographic planes. |
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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 |
Bristol |
Editor |
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Language |
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Wos |
000269077000003 |
Publication Date |
2009-08-19 |
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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 |
0957-4484;1361-6528; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.44 |
Times cited |
14 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.44; 2009 IF: 3.137 |
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Call Number |
UA @ lucian @ c:irua:78933 |
Serial |
588 |
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Permanent link to this record |
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Author |
Moors, K.; Sorée, B.; Magnus, W. |
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Title |
Validity criteria for Fermi's golden rule scattering rates applied to metallic nanowires |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
28 |
Issue |
28 |
Pages |
365302 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Fermi's golden rule underpins the investigation of mobile carriers propagating through various solids, being a standard tool to calculate their scattering rates. As such, it provides a perturbative estimate under the implicit assumption that the effect of the interaction Hamiltonian which causes the scattering events is sufficiently small. To check the validity of this assumption, we present a general framework to derive simple validity criteria in order to assess whether the scattering rates can be trusted for the system under consideration, given its statistical properties such as average size, electron density, impurity density et cetera. We derive concrete validity criteria for metallic nanowires with conduction electrons populating a single parabolic band subjected to different elastic scattering mechanisms: impurities, grain boundaries and surface roughness. |
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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 |
London |
Editor |
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Language |
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Wos |
000380754400013 |
Publication Date |
2016-07-12 |
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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 |
0953-8984 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.649 |
Times cited |
2 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 2.649 |
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Call Number |
UA @ lucian @ c:irua:135011 |
Serial |
4274 |
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Permanent link to this record |
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Author |
Sena, S.H.R.; Pereira, J.M.; Farias, G.A.; Peeters, F.M.; Costa Filho, R.N. |
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Title |
The electronic properties of graphene and graphene ribbons under simple shear strain |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
24 |
Issue |
37 |
Pages |
375301 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
A tight-binding model is used to study the energy band of graphene and graphene ribbon under simple shear strain. The ribbon consists of lines of carbon atoms in an armchair or zigzag orientation where a simple shear strain is applied in the x-direction keeping the atomic distances in the y-direction unchanged. Such modification in the lattice gives an energy band that differs in several aspects from the one without any shear and with pure shear. The changes in the spectrum depend on the line displacement of the ribbon, and also on the modified hopping parameter. It is also shown that this simple shear strain tunes the electronic properties of both graphene and graphene ribbon, opening and closing energy gaps for different displacements of the system. The modified density of states is also shown. |
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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 |
London |
Editor |
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Language |
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Wos |
000308202700011 |
Publication Date |
2012-08-14 |
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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 |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.649 |
Times cited |
15 |
Open Access |
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|
Notes |
; This work was supported by CNPq (RNCF), the National Council for the Improvement of Higher Education (CAPES), the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the bilateral program between Flanders and Brazil. ; |
Approved |
Most recent IF: 2.649; 2012 IF: 2.355 |
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Call Number |
UA @ lucian @ c:irua:101838 |
Serial |
1000 |
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Permanent link to this record |