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Records |
Links |
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Author |
Covaci, L.; Peeters, F.M.; Berciu, M. |
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Title |
Efficient numerical approach to inhomogeneous superconductivity: the Chebyshev-Bogoliubov-de Gennes method |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
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| |
Volume |
105 |
Issue |
16 |
Pages |
167006,1-167006,4 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We propose a highly efficient numerical method to describe inhomogeneous superconductivity by using the kernel polynomial method in order to calculate the Greens functions of a superconductor. Broken translational invariance of any type (impurities, surfaces, or magnetic fields) can be easily incorporated. We show that limitations due to system size can be easily circumvented and therefore this method opens the way for the study of scenarios and/or geometries that were unaccessible before. The proposed method is highly efficient and amenable to large scale parallel computation. Although we only use it in the context of superconductivity, it is applicable to other inhomogeneous mean-field theories. |
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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 |
000282816300018 |
Publication Date  |
2010-10-12 |
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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 |
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 |
80 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), CIfAR, and NSERC. Discussions with Frank Marsiglio are gratefully acknowledged. ; |
Approved |
Most recent IF: 8.462; 2010 IF: 7.622 |
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Call Number |
UA @ lucian @ c:irua:84899 |
Serial |
875 |
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Author |
Neek-Amal, M.; Peeters, F.M. |
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Title |
Defected graphene nanoribbons under axial compression |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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| |
Volume |
97 |
Issue |
15 |
Pages |
153118,1-153118,3 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The buckling of defected rectangular graphene nanoribbons when subjected to axial stress with supported boundary conditions is investigated using atomistic simulations. The buckling strain and mechanical stiffness of monolayer graphene decrease with the percentage of randomly distributed vacancies. The elasticity to plasticity transition in the stress-strain curve, at low percentage of vacancies, are found to be almost equal to the buckling strain thresholds and they decrease with increasing percentage of vacancies. |
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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 |
000283216900069 |
Publication Date |
2010-10-14 |
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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 |
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 |
43 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (WO-Vl) and the Belgian Science Policy (IAP) ; |
Approved |
Most recent IF: 3.411; 2010 IF: 3.841 |
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Call Number |
UA @ lucian @ c:irua:85789 |
Serial |
624 |
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Author |
van Holsbeke, C.; de Backer, J.; Vos, W.; Verdonck, P.; van Ransbeeck, P.; Claessens, T.; Braem, M.; Vanderveken, O.; de Backer, W. |
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Title |
Anatomical and functional changes in the upper airways of sleep apnea patients due to mandibular repositioning: a large scale study |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Journal of biomechanics |
Abbreviated Journal |
J Biomech |
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| |
Volume |
44 |
Issue |
3 |
Pages |
442-449 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Vision lab; Laboratory Experimental Medicine and Pediatrics (LEMP); Translational Neurosciences (TNW) |
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Abstract |
The obstructive sleep apnea-hypopnea syndrome (OSAHS) is a sleep related breathing disorder. A popular treatment is the use of a mandibular repositioning appliance (MRA) which advances the mandibula during the sleep and decreases the collapsibility of the upper airway. The success rate of such a device is, however, limited and very variable within a population of patients. Previous studies using computational fluid dynamics have shown that there is a decrease in upper airway resistance in patients who improve clinically due to an MRA. In this article, correlations between patient-specific anatomical and functional parameters are studied to examine how MRA induced biomechanical changes will have an impact on the upper airway resistance. Low-dose computed tomography (CT) scans are made from 143 patients suffering from OSAHS. A baseline scan and a scan after mandibular repositioning (MR) are performed in order to study variations in parameters. It is found that MR using a simulation bite is able to induce resistance changes by changing the pharyngeal lumen. The change in minimal cross-sectional area is the best parameter to predict the change in upper airway resistance. Looking at baseline values, the ideal patients for MR induced resistance decrease seem to be women with short airways, high initial resistance and no baseline occlusion. |
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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 |
000287551000014 |
Publication Date |
2010-10-23 |
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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 |
0021-9290; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.664 |
Times cited |
23 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 2.664; 2011 IF: 2.434 |
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Call Number |
UA @ lucian @ c:irua:85305 |
Serial |
112 |
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Author |
Doria, M.M.; de Romaguera, A.R.C.; Peeters, F.M. |
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Title |
The ground states of the two-component order parameter superconductor |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Europhysics letters |
Abbreviated Journal |
Epl-Europhys Lett |
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Volume |
92 |
Issue |
1 |
Pages |
17004 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We show that in presence of an applied external field the two-component order parameter superconductor falls in two categories of ground states, namely, in the traditional Abrikosov ground state or in a new ground state fitted to describe a superconducting layer with texture, that is, patched regions separated by a phase difference of pi. The existence of these two kinds of ground states follows from the sole assumption that the total supercurrent is the sum of the two individual supercurrents and is independent of any consideration about the free energy expansion. Uniquely defined relations between the current density and the superfluid density hold for these two ground states, which also determine the magnetization in terms of average values of the order parameters. Because these ground-state conditions are also Bogomolny equations we construct the free energy for the two-component superconductor which admits the Bogomolny solution at a special coupling value. Copyright (C) EPLA, 2010 |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Paris |
Editor |
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Language |
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Wos |
000284469900027 |
Publication Date |
2010-10-30 |
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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 |
0295-5075;1286-4854; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.957 |
Times cited |
8 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 1.957; 2010 IF: 2.753 |
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Call Number |
UA @ lucian @ c:irua:95558 |
Serial |
3584 |
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Author |
Barbier, M.; Vasilopoulos, P.; Peeters, F.M. |
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Title |
Single-layer and bilayer graphene superlattices: collimation, additional Dirac points and Dirac lines |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Philosophical transactions of the Royal Society : mathematical, physical and engineering sciences |
Abbreviated Journal |
Philos T R Soc A |
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Volume |
368 |
Issue |
1932 |
Pages |
5499-5524 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We review the energy spectrum and transport properties of several types of one-dimensional superlattices (SLs) on single-layer and bilayer graphene. In single-layer graphene, for certain SL parameters an electron beam incident on an SL is highly collimated. On the other hand, there are extra Dirac points generated for other SL parameters. Using rectangular barriers allows us to find analytical expressions for the location of new Dirac points in the spectrum and for the renormalization of the electron velocities. The influence of these extra Dirac points on the conductivity is investigated. In the limit of δ-function barriers, the transmission T through and conductance G of a finite number of barriers as well as the energy spectra of SLs are periodic functions of the dimensionless strength P of the barriers, Graphic, with vF the Fermi velocity. For a KronigPenney SL with alternating sign of the height of the barriers, the Dirac point becomes a Dirac line for P = π/2+nπ with n an integer. In bilayer graphene, with an appropriate bias applied to the barriers and wells, we show that several new types of SLs are produced and two of them are similar to type I and type II semiconductor SLs. Similar to single-layer graphene SLs, extra Dirac points are found in bilayer graphene SLs. Non-ballistic transport is also considered. |
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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 |
000283660000011 |
Publication Date |
2010-11-01 |
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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 |
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Series Issue |
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Edition |
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ISSN |
1364-503X;1471-2962; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.97 |
Times cited |
64 |
Open Access |
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Notes |
; This work was supported by IMEC, the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP) and the Canadian NSERC through grant no. OGP0121756. ; |
Approved |
Most recent IF: 2.97; 2010 IF: 2.459 |
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Call Number |
UA @ lucian @ c:irua:85597 |
Serial |
3023 |
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Author |
Tkachenko, D.V.; Misko, V.R.; Peeters, F.M. |
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Title |
Effect of correlated noise on quasi-one-dimensional diffusion |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics |
Abbreviated Journal |
Phys Rev E |
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Volume |
82 |
Issue |
5 |
Pages |
051102-051102,5 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Single-file diffusion (SFD) of an infinite one-dimensional chain of interacting particles has a long-time mean-square displacement ∝t1/2, independent of the type of interparticle repulsive interaction. This behavior is also observed in finite-size chains, although only for certain intervals of time t depending on the chain length L, followed by the ∝t for t→∞, as we demonstrate for a closed circular chain of diffusing interacting particles. Here, we show that spatial correlation of noise slows down SFD and can result, depending on the amount of correlated noise, in either subdiffusive behavior ∝tα, where 0<α<1/2, or even in a total suppression of diffusion (in the limit N→∞). Spatial correlation can explain the subdiffusive behavior in recent SFD experiments in circular channels. |
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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 |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000283710100001 |
Publication Date |
2010-11-02 |
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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 |
1539-3755;1550-2376; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.366 |
Times cited |
11 |
Open Access |
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Notes |
; We acknowledge discussions with M. Saint-Jean. This work was supported by the “Odysseus” program of the Flemish Government and the Flemish Science Foundation (FWO-VI). ; |
Approved |
Most recent IF: 2.366; 2010 IF: 2.352 |
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Call Number |
UA @ lucian @ c:irua:85799 |
Serial |
806 |
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Author |
Masir, M.R.; Vasilopoulos, P.; Peeters, F.M. |
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Title |
Kronig-Penney model of scalar and vector potentials in graphene |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
22 |
Issue |
46 |
Pages |
465302,1-465302,10 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We consider a one-dimensional (1D) superlattice (SL) on graphene consisting of very high and very thin (δ-function) magnetic and potential barriers with zero average potential and zero magnetic field. We calculate the energy spectrum analytically, study it in different limiting cases, and determine the condition under which an electron beam incident on an SL is highly collimated along its direction. In the absence of the magnetic SL the collimation is very sensitive to the value of W/Ws and is optimal for W/Ws = 1, where W is the distance between the positive and negative barriers and L = W + Ws is the size of the unit cell. In the presence of only the magnetic SL the collimation decreases and the symmetry of the spectrum around ky is broken for W/Ws\neq 1 . In addition, a gap opens which depends on the strength of the magnetic field. We also investigate the effect of spatially separated potential and magnetic δ-function barriers and predict a better collimation in specific cases. |
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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 |
000283838800004 |
Publication Date |
2010-11-05 |
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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 |
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 |
41 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-VI), the Belgian Science Policy (IAP), and the Canadian NSERC Grant No. OGP0121756. ; |
Approved |
Most recent IF: 2.649; 2010 IF: 2.332 |
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Call Number |
UA @ lucian @ c:irua:85807 |
Serial |
1767 |
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Author |
Misko, V.R.; Bothner, D.; Kemmler, M.; Kleiner, R.; Koelle, D.; Peeters, F.M.; Nori, F. |
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Title |
Enhancing the critical current in quasiperiodic pinning arrays below and above the matching magnetic flux |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
82 |
Issue |
18 |
Pages |
184512-184512,7 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Quasiperiodic pinning arrays, as recently demonstrated theoretically and experimentally using a fivefold Penrose tiling, can lead to a significant enhancement of the critical current Ic as compared to traditional regular pinning arrays. However, while regular arrays showed only a sharp peak in Ic(Φ) at the matching flux Φ1 and quasiperiodic arrays provided a much broader maximum at Φ<Φ1, both types of pinning arrays turned out to be inefficient for fluxes larger than Φ1. We demonstrate theoretically and experimentally the enhancement of Ic(Φ) for Φ>Φ1 by using non-Penrose quasiperiodic pinning arrays. This result is based on a qualitatively different mechanism of flux pinning by quasiperiodic pinning arrays and could be potentially useful for applications in superconducting microelectronic devices operating in a broad range of magnetic fields. |
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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 |
000283923400006 |
Publication Date |
2010-11-08 |
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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 |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
33 |
Open Access |
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Notes |
; This work was supported by the “Odysseus” Program of the Flemish Government and the Flemish Science Foundation (FWO-Vl), the Interuniversity Attraction Poles (IAP) Programme-Belgian State-Belgian Science Policy, the FWO-Vl, and by the DFG via SFB/TRR21. V. R. M. is grateful to the FWO-Vl for the support of the research stay at the DML (ASI, RIKEN), and to F. N. for hospitality. M. K. gratefully acknowledges support from the Carl-Zeiss-Stiftung, and D. B. from the Evangelisches Studienwerk e.V. Villigst. F. N. acknowledges partial support from the Laboratory of Physical Sciences, National Security Agency, Army Research Office, DARPA, AFOSR, National Science Foundation under Grant No. 0726909, JSPS-RFBR under Contract No. 09-02-92114, Grant-in-Aid for Scientific Research (S), MEXT Kakenhi on Quantum Cybernetics, and Funding Program for Innovative R&D on S&T (FIRST). ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
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Call Number |
UA @ lucian @ c:irua:85800 |
Serial |
1066 |
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Author |
Bousige, C.; Rols, S.; Cambedouzou, J.; Verberck, B.; Pekker, S.; Kováts, É.; Durkó, G.; Jalsovsky, I.; Pellegrini, É.; Launois, P. |
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Title |
Lattice dynamics of a rotor-stator molecular crystal: Fullerene-cubane C60\centerdot C8H8 |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
82 |
Issue |
19 |
Pages |
195413-195413,10 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The dynamics of fullerene-cubane (C60⋅C8H8) cocrystal is studied combining experimental [x-ray diffuse scattering, quasielastic and inelastic neutron scattering (INS)] and simulation (molecular dynamics) investigations. Neutron scattering gives direct evidence of the free rotation of fullerenes and of the libration of cubanes in the high-temperature phase, validating the rotor-stator description of this molecular system. X-ray diffuse scattering shows that orientational disorder survives the order/disorder transition in the low-temperature phase, although the loss of fullerene isotropic rotational diffusion is featured by the appearance of a 2.2 meV mode in the INS spectra. The coupling between INS and simulations allows identifying a degeneracy lift of the cubane librations in the low temperature phase, which is used as a tool for probing the environment of cubane in this phase and for getting further insights into the phase transition mechanism. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Editor |
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Language |
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Wos |
000283923500004 |
Publication Date |
2010-11-08 |
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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 |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
16 |
Open Access |
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Notes |
; The authors acknowledge P.-A. Albouy and S. Rouziere (LPS, Orsay) for fruitful discussions and for their support during diffuse scattering experiments. Work in Hungary was supported by the Hungarian Research Fund, OTKA under Grant No. K72954. The CS group at the ILL is acknowledged for their support during the MD simulations. ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
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Call Number |
UA @ lucian @ c:irua:85801 |
Serial |
1802 |
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| Permanent link to this record |
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Author |
de Backer, J.W.; Vos, W.G.; Vinchurkar, S.C.; Claes, R.; Drollmann, A.; Wulfrank, D.; Parizel, P.M.; Germonpré, P.; de Backer, W. |
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Title |
Validation of computational fluid dynamics in CT-based airway models with SPECT/CT1 |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
Radiology |
Abbreviated Journal |
Radiology |
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Volume |
257 |
Issue |
3 |
Pages |
854-862 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Vision lab; Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP) |
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Abstract |
Purpose: To compare the results obtained by using numerical flow simulations with the results of combined single photon emission computed tomography (SPECT) and computed tomography (CT) and to demonstrate the importance of correct boundary conditions for the numerical methods to account for the large amount of interpatient variability in airway geometry. Materials and Methods: This study was approved by all relevant institutional review boards. All patients gave their signed informed consent. In this study, six patients with mild asthma (three men; three women; overall mean age, 46 years ± 17 [standard deviation]) underwent CT at functional residual capacity and total lung capacity, as well as SPECT/CT. CT data were used for segmentation and computational fluid dynamics (CFD) simulations. A comparison was made between airflow distribution, as derived with (a) SPECT/CT through tracer concentration analysis, (b) CT through lobar expansion measurement, and (c) CFD through flow computer simulation. Also, the heterogeneity of the ventilation was examined. Results: Good agreement was found between SPECT/CT, CT, and CFD in terms of airflow distribution and hot spot detection. The average difference for the internal airflow distribution was less than 3% for CFD and CT versus SPECT/CT. Heterogeneity in ventilation patterns could be detected with SPECT/CT and CFD. Conclusion: This results of this study show that patient-specific computer simulations with appropriate boundary conditions yield information that is similar to that obtained with functional imaging tools, such as SPECT/CT. |
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Publisher |
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Place of Publication |
Easton, Pa |
Editor |
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Language |
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Wos |
000284469300031 |
Publication Date |
2010-11-17 |
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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 |
0033-8419;1527-1315; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
7.296 |
Times cited |
100 |
Open Access |
|
|
| |
Notes |
; Supported by Novartis. ; |
Approved |
Most recent IF: 7.296; 2010 IF: 6.069 |
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| |
Call Number |
UA @ lucian @ c:irua:85379 |
Serial |
3831 |
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| Permanent link to this record |
| |
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| |
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Author |
Yang, C.H.; Peeters, F.M.; Xu, W. |
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| |
Title |
Density of states and magneto-optical conductivity of graphene in a perpendicular magnetic field |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
82 |
Issue |
20 |
Pages |
205428 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
The density of states (DOS) and the optical conductivity of graphene is calculated in the presence of a perpendicular magnetic field and where scattering on charged and short-range impurities is included. The standard Kubo formula is employed where the self-energy induced by impurity scattering and the Green's function are calculated self-consistently including inter-Landau level (LL) coupling and screening effects. It is found that the scattering from those two types of impurities results in a symmetric LL broadening and asymmetric inter-LL coupling renormalizes the LL positions to lower energy. The peak position and intensity of the magneto-optical conductivity depends on the filling factor and the broadened DOS. Good agreement is found with recent cyclotron resonance measurements. |
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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 |
000284400700003 |
Publication Date |
2010-11-18 |
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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 |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
39 |
Open Access |
|
|
| |
Notes |
; This work was supported by the National Natural Science Foundation of China under Grant No. 10804053, the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the Chinese Academy of Sciences and Department of Science and Technology of Yunnan Province. ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
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| |
Call Number |
UA @ lucian @ c:irua:95543 |
Serial |
641 |
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| Permanent link to this record |
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| |
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Author |
Leenaerts, O.; Peelaers, H.; Hernández-Nieves, A.D.; Partoens, B.; Peeters, F.M. |
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| |
Title |
First-principles investigation of graphene fluoride and graphane |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
82 |
Issue |
19 |
Pages |
195436,1-195436,6 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
Different stoichiometric configurations of graphane and graphene fluoride are investigated within density-functional theory. Their structural and electronic properties are compared, and we indicate the similarities and differences among the various configurations. Large differences between graphane and graphene fluoride are found that are caused by the presence of charges on the fluorine atoms. A configuration that is more stable than the boat configuration is predicted for graphene fluoride. We also perform GW calculations for the electronic band gap of both graphene derivatives. These band gaps and also the calculated Youngs moduli are at variance with available experimental data. This might indicate that the experimental samples contain a large number of defects or are only partially covered with H or F. |
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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 |
000284399200004 |
Publication Date |
2010-11-18 |
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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 |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
367 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-V1), the NOI-BOF of the University of Antwerp, the Belgian Science Policy (IAP), and the collaborative project FWO-MINCyT (Grant No. FW/08/01). A.D.H. also acknowledges support from ANPCyT (Grant No. PICT 2008-2236). ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
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| |
Call Number |
UA @ lucian @ c:irua:86916 |
Serial |
1212 |
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| Permanent link to this record |
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Author |
Chaves, A.; Covaci, L.; Rakhimov, K.Y.; Farias, G.A.; Peeters, F.M. |
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| |
Title |
Wave-packet dynamics and valley filter in strained graphene |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
82 |
Issue |
20 |
Pages |
205430 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
The time evolution of a wave packet in strained graphene is studied within the tight-binding model and continuum model. The effect of an external magnetic field, as well as a strain-induced pseudomagnetic field, on the wave-packet trajectories and zitterbewegung are analyzed. Combining the effects of strain with those of an external magnetic field produces an effective magnetic field which is large in one of the Dirac cones, but can be practically zero in the other. We construct an efficient valley filter, where for a propagating incoming wave packet consisting of momenta around the K and K' Dirac points, the outgoing wave packet exhibits momenta in only one of these Dirac points while the components of the packet that belong to the other Dirac point are reflected due to the Lorentz force. We also found that the zitterbewegung is permanent in time in the presence of either external or strain-induced magnetic fields, but when both the external and strain-induced magnetic fields are present, the zitterbewegung is transient in one of the Dirac cones, whereas in the other cone the wave packet exhibits permanent spatial oscillations. |
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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 |
000284401600007 |
Publication Date |
2010-11-19 |
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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 |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
95 |
Open Access |
|
|
| |
Notes |
; This work was financially supported by CNPq under NanoBioEstruturas Contract No. 555183/2005-0, PRONEX/CNPq/FUNCAP, CAPES, the Bilateral program between Flanders and Brazil, the Belgian Science Policy (IAP), and the Flemish Science Foundation (FWO-V1) ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
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| |
Call Number |
UA @ lucian @ c:irua:95542 |
Serial |
3905 |
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| Permanent link to this record |
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Author |
Xu, B.; Milošević, M.V.; Peeters, F.M. |
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| |
Title |
Second-order multiple-quanta flux entry into a perforated spherical mesoscopic superconductor |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
82 |
Issue |
21 |
Pages |
214501-214501,7 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
Flux entry in type-II superconductors without prominent symmetry is a first-order phase transition, where flux enters conventionally gradual in units of a flux quantum. Here we show that neither is necessarily the case in a mesoscopic superconducting sphere with a perforation. In axially applied magnetic field, vortices initially occupy the hole, and can oppose further flux entry in the sample. As a result, multiple-quanta flux entry is found at significantly higher field, and it can manifest as a second-order transition due to suppressed geometric barrier at the equatorial belt of the sample. At high fields a new state is found, with gradually destroyed condensate from the equator inwards, the exact opposite of surface superconductivity. |
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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 |
000286737800007 |
Publication Date |
2010-12-02 |
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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 |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
2 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-V1), the Belgian Science Policy (IAP), and the ESF “Nanoscience and Engineering in Superconductivity” program. ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
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| |
Call Number |
UA @ lucian @ c:irua:88039 |
Serial |
2957 |
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| Permanent link to this record |
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| |
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Author |
Barbier, M.; Vasilopoulos, P.; Peeters, F.M. |
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| |
Title |
Kronig-Penney model on bilayer graphene : spectrum and transmission periodic in the strength of the barriers |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
82 |
Issue |
23 |
Pages |
235408-235408,10 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
We show that the transmission through single and double δ-function potential barriers of strength P=VWb/ℏvF in bilayer graphene is periodic in P with period π. For a certain range of P values we find states that are bound to the potential barrier and that run along the potential barrier. Similar periodic behavior is found for the conductance. The spectrum of a periodic succession of δ-function barriers (Kronig-Penney model) in bilayer graphene is periodic in P with period 2π. For P smaller than a critical value Pc, the spectrum exhibits two Dirac points while for P larger than Pc an energy gap opens. These results are extended to the case of a superlattice of δ-function barriers with P alternating in sign between successive barriers; the corresponding spectrum is periodic in P with period π. |
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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 |
000286766900008 |
Publication Date |
2010-12-06 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
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| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
34 |
Open Access |
|
|
| |
Notes |
; This work was supported by IMEC, the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the Canadian NSERC under Grant No. OGP0121756. ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
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| |
Call Number |
UA @ lucian @ c:irua:88910 |
Serial |
1768 |
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| Permanent link to this record |
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Author |
Ao, Z.M.; Hernández-Nieves, A.D.; Peeters, F.M.; Li, S. |
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Title |
Enhanced stability of hydrogen atoms at the graphene/graphane interface of nanoribbons |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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| |
Volume |
97 |
Issue |
23 |
Pages |
233109,1-233109,3 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
The thermal stability of graphene/graphane nanoribbons (GGNRs) is investigated using density functional theory. It is found that the energy barriers for the diffusion of hydrogen atoms on the zigzag and armchair interfaces of GGNRs are 2.86 and 3.17 eV, respectively, while the diffusion barrier of an isolated H atom on pristine graphene was only ∼ 0.3 eV. These results unambiguously demonstrate that the thermal stability of GGNRs can be enhanced significantly by increasing the hydrogen diffusion barriers through graphene/graphane interface engineering. This may provide new insights for viable applications of GGNRs. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000285364000067 |
Publication Date |
2010-12-11 |
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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 |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.411 |
Times cited |
43 |
Open Access |
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| |
Notes |
; The financial supports by the Vice-Chancellor's Postdoctoral Research Fellowship Program of the University of New South Wales (SIR50/PS19184), the Flemish Science Foundation (FWO-VI), and the Belgian Science Policy (IAP) are acknowledged. A.D.H. acknowledges also support from ANPCyT (Grant No. PICT2008-2236) and the collaborative project FWO-MINCyT (FW/08/01). ; |
Approved |
Most recent IF: 3.411; 2010 IF: 3.841 |
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| |
Call Number |
UA @ lucian @ c:irua:86972 |
Serial |
1056 |
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| Permanent link to this record |
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Author |
Shanenko, A.A.; Croitoru, M.D.; Vagov, A.; Peeters, F.M. |
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Title |
Superconducting nanowires : new type of BCS-BEC crossover driven by quantum-size effects |
Type |
P1 Proceeding |
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Year |
2011 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
119-127 |
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Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
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Abstract |
We show that a superconducting quantum nanowire undergoes a new type of BCS-BEC crossover each time when an electron subband approaches the Fermi surface. In this case the longitudinal Cooper-pair size drops by two-three orders of magnitude down to a few nanometers. This unconventional BCS-BEC crossover is driven by quantum-size effects rather than by tuning the fermion-fermion interaction. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Springer |
Place of Publication |
Dordrecht |
Editor |
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Language |
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Wos |
000289872900009 |
Publication Date |
2010-12-11 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
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ISSN |
1874-6500;1874-6535; |
ISBN |
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Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP) and the ESF-network: INSTANS. M.D.C. acknowledges support from the Alexander von Humboldt Foundation. ; |
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:89946 |
Serial |
3359 |
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| Permanent link to this record |
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| |
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Author |
Li, L.L.; Xu, W.; Peeters, F.M. |
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| |
Title |
Intrinsic optical anisotropy of [001]-grown short-period InAs/GaSb superlattices |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
82 |
Issue |
23 |
Pages |
235422-235422,10 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
We theoretically investigate the intrinsic optical anisotropy or polarization induced by the microscopic interface asymmetry (MIA) in no-common-atom (NCA) InAs/GaSb superlattices (SLs) grown along the [001] direction. The eight-band K⋅P model is used to calculate the electronic band structures and incorporates the MIA effect. A Boltzmann equation approach is employed to calculate the optical properties. We found that in NCA InAs/GaSb SLs, the MIA effect causes a large in-plane optical anisotropy for linearly polarized light and the largest anisotropy occurs for light polarized along the [110] and [11̅ 0] directions. The relative difference between the optical-absorption coefficient for [110]-polarized light and that for [11̅ 0]-polarized light is found to be larger than 50%. The dependence of the in-plane optical anisotropy on temperature, photoexcited carrier density, and layer width is examined in detail. This study is important for optical devices which require the polarization control and selectivity. |
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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 |
000286768800007 |
Publication Date |
2010-12-13 |
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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 |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
18 |
Open Access |
|
|
| |
Notes |
; This work was supported partly by the Flemish Science Foundation (FWO-VL), the Belgium Science Policy (IAP), the NSF of China (Grants No. 10664006, No. 10504036, and No. 90503005), Special Funds of 973 Project of China (Grant No. 2005CB623603), and Knowledge Innovation Program of the Chinese Academy of Sciences. ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
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| |
Call Number |
UA @ lucian @ c:irua:88909 |
Serial |
1717 |
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| Permanent link to this record |
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Author |
Kishore, V.V.R.; Partoens, B.; Peeters, F.M. |
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Title |
Electronic structure and optical absorption of GaAs/AlxGa1-xAs and AlxGa1-xAs/GaAs core-shell nanowires |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
82 |
Issue |
23 |
Pages |
235425-235425,9 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
The electronic structure of GaAs/AlxGa1−xAs and AlxGa1−xAs/GaAs core-shell nanowires grown in the [001] direction is studied. The k⋅p method with the 6×6 Kohn-Lüttinger Hamiltonian, taking into account the split-off band is used. The variation in the energy level dispersion, the spinor contribution to the ground state and the optical interband absorption are studied. For some range of parameters the top of the valence band exhibits a camelback structure which results in an extra peak in the optical absorption. |
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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 |
000286769100008 |
Publication Date |
2010-12-14 |
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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 |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
23 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
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| |
Call Number |
UA @ lucian @ c:irua:86911 |
Serial |
1010 |
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| Permanent link to this record |
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Author |
Neek-Amal, M.; Peeters, F.M. |
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| |
Title |
Buckled circular monolayer graphene : a graphene nano-bowl |
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 |
4 |
Pages |
045002-045002,8 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
We investigate the stability of circular monolayer graphene subjected to a radial load using non-equilibrium molecular dynamics simulations. When monolayer graphene is radially stressed, after some small circular strain (~0.4%) it buckles and bends into a new bowl-like shape. Young's modulus is calculated from the linear relation between stress and strain before the buckling threshold, which is in agreement with experimental results. The prediction of elasticity theory for the buckling threshold of a radially stressed plate is presented and its results are compared to the one of our atomistic simulation. The Jarzynski equality is used to estimate the difference between the free energy of the non-compressed states and the buckled states. From a calculation of the free energy we obtain the optimum radius for which the system feels the minimum boundary stress. |
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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 |
000286142800003 |
Publication Date |
2010-12-16 |
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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 |
|
Series Issue |
|
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 |
27 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ; |
Approved |
Most recent IF: 2.649; 2011 IF: 2.546 |
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| |
Call Number |
UA @ lucian @ c:irua:88043 |
Serial |
259 |
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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 |
| |
Year |
2010 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
|
| |
Volume |
97 |
Issue |
|
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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| |
Address |
|
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| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
|
| |
Language |
|
Wos |
000285768100015 |
Publication Date |
2010-12-28 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.411 |
Times cited |
23 |
Open Access |
|
|
| |
Notes |
Iwt; Fwo; Bof-Noi |
Approved |
Most recent IF: 3.411; 2010 IF: 3.841 |
|
| |
Call Number |
UA @ lucian @ c:irua:85759 |
Serial |
2803 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Verberck, B. |
|
| |
Title |
Symmetry-adapted rotator functions for molecules in cylindrical confinement |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
International journal of molecular sciences |
Abbreviated Journal |
Int J Mol Sci |
|
| |
Volume |
12 |
Issue |
1 |
Pages |
317-333 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We present a general description of the formalism of symmetry-adapted rotator functions (SARFs) for molecules in cylindrical confinement. Molecules are considered as clusters of interaction centers (ICs), can have any symmetry, and can display different types of ICs. Cylindrical confinement can be realized by encapsulation in a carbon nanotube (CNT). The potential energy of a molecule surrounded by a CNT can be calculated by evaluating a limited number of terms of an expansion into SARFs, which offers a significant reduction of the computation time. Optimal molecular orientations can be deduced from the resulting potential energy landscape. Examples, including the case of a molecule with cubic symmetry inside a CNT, are discussed. |
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| |
Address |
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| |
Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000286583400017 |
Publication Date |
2011-01-13 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1422-0067; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.226 |
Times cited |
1 |
Open Access |
|
|
| |
Notes |
; ; |
Approved |
Most recent IF: 3.226; 2011 IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:88048 |
Serial |
3402 |
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| Permanent link to this record |
| |
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| |
|
Author |
Kapra, A.V.; Misko, V.R.; Vodolazov, D.Y.; Peeters, F.M. |
|
| |
Title |
The guidance of vortex-antivortex pairs by in-plane magnetic dipoles in a superconducting finite-size film |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Superconductor science and technology |
Abbreviated Journal |
Supercond Sci Tech |
|
| |
Volume |
24 |
Issue |
2 |
Pages |
024014-024014,8 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
The possibility of manipulating vortex matter by using various artificial pinning arrays is of significant importance for possible applications in nano and micro fluxonics devices. By numerically solving the time-dependent GinzburgLandau equations, we study the vortexantivortex (vav) dynamics in a hybrid structure consisting of a finite-size superconductor with magnetic dipoles on top which generate vav pairs in the presence of an external current. The vav dynamics is analyzed for different arrangements and magnetic moments of the dipoles, as a function of angle α between the direction of the magnetic dipole and that of the Lorentz force produced by the applied current. The interplay of the attractive interaction between a vav pair and the Lorentz force leads either to the separation of (anti)vortices and their motion in opposite directions or to their annihilation. We found a critical angle αc, below which vortices and antivortices are repelled, while for larger angles they annihilate. In case of a single (few) magnetic dipole(s), this magnetic dipole induced vav guidance is influenced by the self-interaction of the vav pairs with their images in a finite-size sample, while for a periodic array of dipoles the guidance is determined by the interaction of a vav pair with other dipoles and vav pairs created by them. This effect is tunable through the external current and the magnetization and size of the magnetic dipoles. |
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| |
Address |
|
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| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Bristol |
Editor |
|
|
| |
Language |
|
Wos |
000286379900015 |
Publication Date |
2011-01-20 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0953-2048;1361-6668; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.878 |
Times cited |
28 |
Open Access |
|
|
| |
Notes |
; This work was supported by the 'Odysseus' program of the Flemish Government and the Flemish Science Foundation (FWO-Vl), the Interuniversity Attraction Poles (IAP) Programme-Belgian State-Belgian Science Policy, and the FWO-Vl. DYV acknowledges support from the Russian Fund for Basic Research and Russian Agency of Education under the Federal Programme 'Scientific and educational personnel of innovative Russia in 2009-2013'. ; |
Approved |
Most recent IF: 2.878; 2011 IF: 2.662 |
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| |
Call Number |
UA @ lucian @ c:irua:88732 |
Serial |
1399 |
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| Permanent link to this record |
| |
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| |
|
Author |
Verberck, B.; Cambedouzou, J.; Vliegenthart, G.A.; Gompper, G.; Launois, P. |
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| |
Title |
A Monte Carlo study of C70 molecular motion in C70@SWCNT peapods |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
|
| |
Volume |
49 |
Issue |
6 |
Pages |
2007-2021 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We present Monte Carlo simulations of chains of C70 molecules encapsulated in a single-walled carbon nanotube (SWCNT). For various tube radii R (6.5 Å less-than-or-equals, slant R less-than-or-equals, slant 7.5 Å), we analyze rotational and translational motion of the C70 molecules, as a function of temperature. Apart from reproducing the experimentally well-established lying and standing molecular orientations for small and large tube radii, respectively, we observe, depending on the tube diameter, a variety of molecular motions, orientational flipping of lying molecules, and the migration of molecules resulting in a continual rearrangement of the C70 molecules in clusters of varying lengths. With increasing temperature, the evolution of the pair correlation functions reveals a transition from linear harmonic chain behavior to a hard-sphere liquid, making C70@SWCNT peapods tunable physical realizations of two well-known one-dimensional model systems. |
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| |
Address |
|
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| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Oxford |
Editor |
|
|
| |
Language |
|
Wos |
000288689900025 |
Publication Date |
2011-01-20 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0008-6223; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
6.337 |
Times cited |
10 |
Open Access |
|
|
| |
Notes |
; Helpful discussions with K.H. Michel, P.-A. Albouy and C. Bousige are greatly acknowledged. This work was financially supported by the Research Foundation – Flanders (FWO-Vl). B.V. is a Postdoctoral Fellow of the Research Foundation Flanders (FWO-VI). ; |
Approved |
Most recent IF: 6.337; 2011 IF: 5.378 |
|
| |
Call Number |
UA @ lucian @ c:irua:89660 |
Serial |
2201 |
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| Permanent link to this record |
| |
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| |
|
Author |
Verberck, B. |
|
| |
Title |
Orientational properties of C70 and C80 fullerenes in carbon nanotubes |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
83 |
Issue |
4 |
Pages |
045405-045405,8 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We present energy calculations of a C80 molecule with D5d symmetry encapsulated in a carbon nanotube. The approximation of a continuous tube rather than a rolled-up graphene sheet, justified by comparison with atomistic calculations, allows an expansion of the energy field into symmetry-adapted rotator functions. For a given tube radius R, we observe a strong dependence of the interaction energy on the molecular tilt angle and on the molecules lateral position in the tube. We observe a transition from on-axis lying orientations to tilted orientations at R1≈6.95 Å and a subsequent transition to standing orientations at R2≈7.6 Å. For tube radii larger than R3≈8.0 Å, the molecule starts to occupy off-axis positions and assumes a lying orientation. Results are compared to the case of C70 molecules, with D5h symmetry. Our findings are consistent with recent high-resolution transmission electron microscopy measurements and are relevant for the design of new materials with tunable electronic properties. |
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| |
Address |
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| |
Corporate Author |
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Thesis |
|
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| |
Publisher |
|
Place of Publication |
|
Editor |
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| |
Language |
|
Wos |
000286770600010 |
Publication Date |
2011-01-20 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
6 |
Open Access |
|
|
| |
Notes |
; The author gratefully acknowledges discussions with A. V. Nikolaev and K. H. Michel. This work was financially supported by the Research Foundation-Flanders (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
|
| |
Call Number |
UA @ lucian @ c:irua:88911 |
Serial |
2520 |
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| Permanent link to this record |
| |
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| |
|
Author |
Milošević, M.V.; Peeters, F.M.; Jankó, B. |
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| |
Title |
Vortex manipulation in superconducting films with tunable magnetic topology |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Superconductor science and technology |
Abbreviated Journal |
Supercond Sci Tech |
|
| |
Volume |
24 |
Issue |
2 |
Pages |
024001-024001,6 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Using a combination of the phenomenological GinzburgLandau theory and micromagnetic simulations, we study properties of a superconducting film with an array of soft magnetic dots on top. An external in-plane magnetic field gradually drives the magnets from an out-of-plane or magnetic vortex state to an in-plane single-domain state, which changes spatially the distribution of the superconducting condensate. If induced by the magnets, the vortexantivortex molecules exhibit rich transitions as a function of the applied in-plane field. At the same time, we show how the magnetic dots act as very effective dynamic pinning centers for vortices in an applied perpendicular magnetic field. |
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| |
Address |
|
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| |
Corporate Author |
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Thesis |
|
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| |
Publisher |
|
Place of Publication |
Bristol |
Editor |
|
|
| |
Language |
|
Wos |
000286379900002 |
Publication Date |
2011-01-20 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0953-2048;1361-6668; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.878 |
Times cited |
8 |
Open Access |
|
|
| |
Notes |
; This research was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), the JSPS/ESF-NES program, the bilateral project between Flanders and the USA, NSF NIRT, ECS-0609249, and the Institute for Theoretical Sciences. ; |
Approved |
Most recent IF: 2.878; 2011 IF: 2.662 |
|
| |
Call Number |
UA @ lucian @ c:irua:88731 |
Serial |
3870 |
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| Permanent link to this record |
| |
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| |
|
Author |
Peelaers, H.; Partoens, B.; Giantomassi, M.; Rangel, T.; Goossens, E.; Rignanese, G.-M.; Gonze, X.; Peeters, F.M. |
|
| |
Title |
Convergence of quasiparticle band structures of Si and Ge nanowires in the GW approximation and the validity of scissor shifts |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
83 |
Issue |
4 |
Pages |
045306-045306,6 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Starting from fully converged density-functional theory calculations, the quasiparticle corrections are calculated for different sized Si and Ge nanowires using the GW approximation. The effectiveness of recently developed techniques in speeding up the convergence of the quasiparticle calculations is demonstrated. The complete quasiparticle band structures are also obtained using an interpolation technique based on maximallylocalized Wannier functions. From the quasiparticle results, we assess the correctness of the commonly applied scissor-shift correction. Dispersion changes are observed, which are also reflected in changes in the effective band masses calculated taking into account quasiparticle corrections. |
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| |
Address |
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| |
Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
|
Editor |
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| |
Language |
|
Wos |
000286771400004 |
Publication Date |
2011-01-21 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
18 |
Open Access |
|
|
| |
Notes |
; We are grateful to Yann Pouillon for valuable technical support with the build system of ABINIT, related to the WANNIER90 library. This work was supported by the Flemish Science Foundation (FWO-Vl) and by the Interuniversity Attraction Poles Program (P6/42)-Belgian State-Belgian Science Policy. X. G. and G.-M. R. acknowledge funding from the EU's 7th Framework Programme through the ETSF I3 e-Infrastructure project (Grant No. 211956), the Communaute francaise de Belgique through the Action de Recherche Concertee 07/12-003 “Nanosystemes hybrides metal-organiques,” and the Wallon Region Project No. 816849 “ European Theoretical Spectroscopy Facility” (WALL ETSF). M. G. acknowledges funding from the FRFC Project No. 2.4.589.09.F. ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
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| |
Call Number |
UA @ lucian @ c:irua:86905 |
Serial |
510 |
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| Permanent link to this record |
| |
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| |
|
Author |
Shanenko, A.A.; Milošević, M.V.; Peeters, F.M. |
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| |
Title |
Extended Ginzburg-Landau formalism for two-band superconductors |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
|
| |
Volume |
106 |
Issue |
4 |
Pages |
047005-047005,4 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Recent observation of unusual vortex patterns in MgB2 single crystals raised speculations about possible type-1.5 superconductivity in two-band materials, mixing the properties of both type-I and type-II superconductors. However, the strict application of the standard two-band Ginzburg-Landau (GL) theory results in simply proportional order parameters of the two bandsand does not support the type-1.5 behavior. Here we derive the extended GL formalism (accounting all terms of the next order over the small τ=1-T/Tc parameter) for a two-band clean s-wave superconductor and show that the two condensates generally have different spatial scales, with the difference disappearing only in the limit T→Tc. The extended version of the two-band GL formalism improves the validity of GL theory below Tc and suggests revisiting the earlier calculations based on the standard model. |
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| |
Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
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| |
Language |
|
Wos |
000286734100010 |
Publication Date |
2011-01-27 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
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 |
84 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the ESF-INSTANS network. Discussions with M. D. Croitoru are gratefully acknowledged. ; |
Approved |
Most recent IF: 8.462; 2011 IF: 7.370 |
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| |
Call Number |
UA @ lucian @ c:irua:88038 |
Serial |
1154 |
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| Permanent link to this record |
| |
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| |
|
Author |
Peelaers, H.; Hernández-Nieves, A.D.; Leenaerts, O.; Partoens, B.; Peeters, F.M. |
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| |
Title |
Vibrational properties of graphene fluoride and graphane |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
|
| |
Volume |
98 |
Issue |
5 |
Pages |
051914 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
The vibrational properties of graphene fluoride and graphane are studied using ab initio calculations. We find that both sp(3) bonded derivatives of graphene have different phonon dispersion relations and phonon densities of states as expected from the different masses associated with the attached atoms of fluorine and hydrogen, respectively. These differences manifest themselves in the predicted temperature behavior of the constant-volume specific heat of both compounds. (C) 2011 American Institute of Physics. [doi:10.1063/1.3551712] |
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| |
Address |
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| |
Corporate Author |
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Thesis |
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| |
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
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| |
Language |
|
Wos |
000286988400027 |
Publication Date |
2011-02-02 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.411 |
Times cited |
66 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-V1), the Belgian Science Policy (IAP), and the collaborative project FWO-MINCyT (Contract No. FW /08/01). A.D.H.-N. is also supported by ANPCyT (under Grant No. PICT2008-2236) ; |
Approved |
Most recent IF: 3.411; 2011 IF: 3.844 |
|
| |
Call Number |
UA @ lucian @ c:irua:105604 |
Serial |
3844 |
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| Permanent link to this record |
| |
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| |
|
Author |
Cantoro, M.; Klekachev, A.V.; Nourbakhsh, A.; Sorée, B.; Heyns, M.M.; de Gendt, S. |
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| |
Title |
Long-wavelength, confined optical phonons in InAs nanowires probed by Raman spectroscopy |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
European physical journal : B : condensed matter and complex systems |
Abbreviated Journal |
Eur Phys J B |
|
| |
Volume |
79 |
Issue |
4 |
Pages |
423-428 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Strongly confined nano-systems, such as one-dimensional nanowires, feature deviations in their structural, electronic and optical properties from the corresponding bulk. In this work, we investigate the behavior of long-wavelength, optical phonons in vertical arrays of InAs nanowires by Raman spectroscopy. We attribute the main changes in the spectral features to thermal anharmonicity, due to temperature effects, and rule out the contribution of quantum confinement and Fano resonances. We also observe the appearance of surface optical modes, whose details allow for a quantitative, independent estimation of the nanowire diameter. The results shed light onto the mechanisms of lineshape change in low-dimensional InAs nanostructures, and are useful to help tailoring their electronic and vibrational properties for novel functionalities. |
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| |
Address |
|
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| |
Corporate Author |
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Thesis |
|
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| |
Publisher |
|
Place of Publication |
Berlin |
Editor |
|
|
| |
Language |
|
Wos |
000288120600005 |
Publication Date |
2011-02-03 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1434-6028;1434-6036; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.461 |
Times cited |
10 |
Open Access |
|
|
| |
Notes |
; ; |
Approved |
Most recent IF: 1.461; 2011 IF: 1.534 |
|
| |
Call Number |
UA @ lucian @ c:irua:89502 |
Serial |
1841 |
|
| Permanent link to this record |
