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Author |
Kocabas, T.; Cakir, D.; Gulseren, O.; Ay, F.; Perkgoz, N.K.; Sevik, C. |
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Title |
A distinct correlation between the vibrational and thermal transport properties of group VA monolayer crystals |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Nanoscale |
Abbreviated Journal |
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Volume |
10 |
Issue |
16 |
Pages |
7803-7812 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
The investigation of thermal transport properties of novel two-dimensional materials is crucially important in order to assess their potential to be used in future technological applications, such as thermoelectric power generation. In this respect, the lattice thermal transport properties of the monolayer structures of group VA elements (P, As, Sb, Bi, PAs, PSb, PBi, AsSb, AsBi, SbBi, P3As1, P3Sb1, P1As3, and As3Sb1) with a black phosphorus like puckered structure were systematically investigated by first-principles calculations and an iterative solution of the phonon Boltzmann transport equation. Phosphorene was found to have the highest lattice thermal conductivity, , due to its low average atomic mass and strong interatomic bonding character. As a matter of course, anisotropic was obtained for all the considered materials, owing to anisotropy in frequency values and phonon group velocities calculated for these structures. However, the determined linear correlation between the anisotropy in the values of P, As, and Sb is significant. The results corresponding to the studied compound structures clearly point out that thermal (electronic) conductivity of pristine monolayers might be suppressed (improved) by alloying them with the same group elements. For instance, the room temperature of PBi along the armchair direction was predicted to be as low as 1.5 W m(-1) K-1, whereas that of P was predicted to be 21 W m(-1) K-1. In spite of the apparent differences in structural and vibrational properties, we peculiarly revealed an intriguing correlation between the values of all the considered materials as = c(1) + c(2)/m(2), in particular along the zigzag direction. Furthermore, our calculations on compound structures clearly showed that the thermoelectric potential of these materials can be improved by suppressing their thermal properties. The presence of ultra-low values and high electrical conductivity (especially along the armchair direction) makes this class of monolayers promising candidates for thermoelectric applications. |
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Wos |
000431030000054 |
Publication Date |
2018-03-22 |
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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 |
2040-3364; 2040-3372 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:193785 |
Serial |
7388 |
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Permanent link to this record |
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Author |
de Aquino, B.R.H.; Ghorbanfekr-Kalashami, H.; Neek-Amal, M.; Peeters, F.M. |
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Title |
Electrostrictive behavior of confined water subjected to GPa pressure |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
97 |
Issue |
14 |
Pages |
144111 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Water inside a nanocapillary exhibits unconventional structural and dynamical behavior due to its ordered structure. The confining walls, density, and lateral pressures control profoundly the microscopic structure of trapped water. Here we study the electrostriction of confined water subjected to pressures of the order of GPa for two different setups: (i) a graphene nanochannel containing a constant number of water molecules independent of the height of the channel, (ii) an open nanochannel where water molecules can be exchanged with those in a reservoir. For the former case, a square-rhombic structure of confined water is formed when the height of the channel is d = 6.5 angstrom having a density of rho = 1.42 g cm(-3). By increasing the height of the channel, a transition from a flat to a buckled state occurs, whereas the density rapidly decreases and reaches the bulk density for d congruent to 8.5 angstrom. When a perpendicular electric field is applied, the water structure and the lateral pressure change. For strong electric fields (similar to 1 V/angstrom), the square-rhombic structure is destroyed. For an open setup, a solid phase of confined water consisting of an imperfect square-rhombic structure is formed. By applying a perpendicular field, the density and phase of confined water change. However, the density and pressure inside the channel decrease as compared to the first setup. Our study is closely related to recent experiments on confined water, and it reveals the sensitivity of the microscopic structure of confined water to the size of the channel, the external electric field, and the experimental setup. |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000430809300002 |
Publication Date |
2018-04-25 |
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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 |
2469-9969; 2469-9950 |
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 |
6 |
Open Access |
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Notes |
; This work was supported by the Fund for Scientific Research-Flanders (FWO-Vl) and the Methusalem programe. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:151574UA @ admin @ c:irua:151574 |
Serial |
5023 |
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Permanent link to this record |
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Author |
Rios, P.L.; Perali, A.; Needs, R.J.; Neilson, D. |
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Title |
Evidence from quantum Monte Carlo simulations of large-gap superfluidity and BCS-BEC crossover in double electron-hole layers |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
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Volume |
120 |
Issue |
17 |
Pages |
177701 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We report quantum Monte Carlo evidence of the existence of large gap superfluidity in electron-hole double layers over wide density ranges. The superfluid parameters evolve from normal state to BEC with decreasing density, with the BCS state restricted to a tiny range of densities due to the strong screening of Coulomb interactions, which causes the gap to rapidly become large near the onset of superfluidity. The superfluid properties exhibit similarities to ultracold fermions and iron-based superconductors, suggesting an underlying universal behavior of BCS-BEC crossovers in pairing systems. |
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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 |
000430547800002 |
Publication Date |
2018-04-23 |
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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 |
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 |
11 |
Open Access |
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Notes |
; The authors thank G. Baym, M. Bonitz, and G. Senatore for useful discussions. A. P. and D. N. acknowledge financial support from University of Camerino FAR project CESEMN and from the Italian MIUR through the PRIN 2015 program under Contract No. 2015C5SEJJ001. R. J. N. acknowledges financial support from the Engineering and Physical Sciences Research Council, U.K., under Grant No. EP/ P034616/1. P. L. R. acknowledges financial support from the Max-Planck Society. Computational resources have been provided by the High Performance Computing Service of the University of Cambridge and by the Max-Planck Institute for Solid State Research. ; |
Approved |
Most recent IF: 8.462 |
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Call Number |
UA @ lucian @ c:irua:150750UA @ admin @ c:irua:150750 |
Serial |
4967 |
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Permanent link to this record |
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Author |
Li, L.L.; Partoens, B.; Peeters, F.M. |
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Title |
Tuning the electronic properties of gated multilayer phosphorene : a self-consistent tight-binding study |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
97 |
Issue |
15 |
Pages |
155424 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
By taking account of the electric-field-induced charge screening, a self-consistent calculation within the framework of the tight-binding approach is employed to obtain the electronic band structure of gated multilayer phosphorene and the charge densities on the different phosphorene layers. We find charge density and screening anomalies in single-gated multilayer phosphorene and electron-hole bilayers in dual-gated multilayer phosphorene. Due to the unique puckered lattice structure, both intralayer and interlayer charge screenings are important in gated multilayer phosphorene. We find that the electric-field tuning of the band structure of multilayer phosphorene is distinctively different in the presence and absence of charge screening. For instance, it is shown that the unscreened band gap of multilayer phosphorene decreases dramatically with increasing electric-field strength. However, in the presence of charge screening, the magnitude of this band-gap decrease is significantly reduced and the reduction depends strongly on the number of phosphorene layers. Our theoretical results of the band-gap tuning are compared with recent experiments and good agreement is found. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000430459400005 |
Publication Date |
2018-04-20 |
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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 |
2469-9969; 2469-9950 |
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 |
26 |
Open Access |
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Notes |
; This work was financially supported by the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:150752UA @ admin @ c:irua:150752 |
Serial |
4988 |
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Permanent link to this record |
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Author |
Flammia, L.; Zhang, L.-F.; Covaci, L.; Perali, A.; Milošević, M.V. |
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Title |
Superconducting nanoribbon with a constriction : a quantum-confined Josephson junction |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
97 |
Issue |
13 |
Pages |
134514 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Extended defects are known to strongly affect nanoscale superconductors. Here, we report the properties of superconducting nanoribbons with a constriction formed between two adjacent step edges by solving the Bogoliubov-de Gennes equations self-consistently in the regime where quantum confinement is important. Since the quantum resonances of the superconducting gap in the constricted area are different from the rest of the nanoribbon, such constriction forms a quantum-confined S-S'-S Josephson junction, with a broadly tunable performance depending on the length and width of the constriction with respect to the nanoribbon, and possible gating. These findings provide an intriguing approach to further tailor superconducting quantum devices where Josephson effect is of use. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000430161500004 |
Publication Date |
2018-04-17 |
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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 |
2469-9969; 2469-9950 |
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 |
7 |
Open Access |
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Notes |
; This work was supported by the Research Foundation Flanders (FWO-Vlaanderen), the Special Research Funds of the University of Antwerp (TOPBOF), the Italian MIUR through the PRIN 2015 program (Contract No. 2015C5SEJJ001), the MultiSuper network, and the EU-COST NANOCOHYBRI action CA16218. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:150754UA @ admin @ c:irua:150754 |
Serial |
4980 |
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Permanent link to this record |
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Author |
Pereira, J.R.V.; Tunes, T.M.; De Arruda, A.S.; Godoy, M. |
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Title |
Thermal properties of the mixed spin-1 and spin-3/2 Ising ferrimagnetic system with two different random single-ion anisotropies |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physica: A : theoretical and statistical physics |
Abbreviated Journal |
Physica A |
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Volume |
500 |
Issue |
500 |
Pages |
265-272 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
In this work, we have performed Monte Carlo simulations to study a mixed spin-1 and spin-3/2 Ising ferrimagnetic system on a square lattice with two different random single-ion anisotropies. This lattice is divided in two interpenetrating sublattices with spins S-A = 1 in the sublattice A and S-B = 3/2 in the sublattice B. The exchange interaction between the spins on the sublattices is antiferromagnetic (J < 0). We used two random single-ion anisotropies, D-i(A) and D-j(B), on the sublattices A and B, respectively. We have determined the phase diagram of the model in the critical temperature T-c versus strength of the random single-ion anisotropy D plane and we shown that it exhibits only second-order phase transition lines. We also shown that this system displays compensation temperatures for some cases of the random single-ion distribution. (C) 2018 Elsevier B.V. All rights reserved. |
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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 |
Amsterdam |
Editor |
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Language |
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Wos |
000430027400025 |
Publication Date |
2018-02-21 |
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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 |
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Series Issue |
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Edition |
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ISSN |
0378-4371 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.243 |
Times cited |
3 |
Open Access |
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Notes |
; The authors acknowledge financial support by the Brazilian agencies CNPq, Brazil, CAPES, Brazil (Grant No. 88881.120851/2016-01) and FAPEMAT, Brazil. ; |
Approved |
Most recent IF: 2.243 |
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Call Number |
UA @ lucian @ c:irua:150706UA @ admin @ c:irua:150706 |
Serial |
4985 |
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Permanent link to this record |
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Author |
Kenawy, A.; Magnus, W.; Sorée, B. |
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Title |
Flux quantization and Aharonov-Bohm effect in superconducting rings |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of superconductivity and novel magnetism |
Abbreviated Journal |
J Supercond Nov Magn |
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Volume |
31 |
Issue |
5 |
Pages |
1351-1357 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Superconductivity is a macroscopic coherent state exhibiting various quantum phenomena such as magnetic flux quantization. When a superconducting ring is placed in a magnetic field, a current flows to expel the field from the ring and to ensure that the enclosed flux is an integer multiple of h/(2|e|). Although the quantization of magnetic flux in ring structures is extensively studied in literature, the applied magnetic field is typically assumed to be homogeneous, implicitly implying an interplay between field expulsion and flux quantization. Here, we propose to decouple these two effects by employing an Aharonov-Bohm-like structure where the superconducting ring is threaded by a magnetic core (to which the applied field is confined). Although the magnetic field vanishes inside the ring, the formation of vortices takes place, corresponding to a change in the flux state of the ring. The time evolution of the density of superconducting electrons is studied using the time-dependent Ginzburg-Landau equations. |
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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 |
000429354100010 |
Publication Date |
2017-10-09 |
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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 |
1557-1939 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
1.18 |
Times cited |
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Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 1.18 |
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Call Number |
UA @ lucian @ c:irua:150742UA @ admin @ c:irua:150742 |
Serial |
4969 |
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Permanent link to this record |
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Author |
Mei, H.; Xu, W.; Wang, C.; Yuan, H.; Zhang, C.; Ding, L.; Zhang, J.; Deng, C.; Wang, Y.; Peeters, F.M. |
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Title |
Terahertz magneto-optical properties of bi- and tri-layer graphene |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
30 |
Issue |
17 |
Pages |
175701 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Magneto-optical (MO) properties of bi- and tri-layer graphene are investigated utilizing terahertz time-domain spectroscopy (THz TDS) in the presence of a strong magnetic field at room-temperature. In the Faraday configuration and applying optical polarization measurements, we measure the real and imaginary parts of the longitudinal and transverse MO conductivities of different graphene samples. The obtained experimental data fits very well with the classical MO Drude formula. Thus, we are able to obtain the key sample and material parameters of bi- and tri-layer graphene, such as the electron effective mass, the electronic relaxation time and the electron density. It is found that in high magnetic fields the electronic relaxation time tau for bi- and tri-layer graphene increases with magnetic field B roughly in a form tau similar to B-2. Most importantly, we obtain the electron effective mass for bi- and tri-layer graphene at room-temperature under non-resonant conditions. This work shows how the advanced THz MO techniques can be applied for the investigation into fundamental physics properties of atomically thin 2D electronic systems. |
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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 |
000429329500001 |
Publication Date |
2018-03-20 |
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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 |
11 |
Open Access |
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Notes |
; This work was supported by the National Natural Science Foundation of China (11574319, 11304317, 11304272), the Ministry of Science and Technology of China (2011YQ130018), the Center of Science and Technology of Hefei Academy of Science, the Department of Science and Technology of Yunnan Province, and by the Chinese Academy of Sciences. ; |
Approved |
Most recent IF: 2.649 |
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Call Number |
UA @ lucian @ c:irua:150715UA @ admin @ c:irua:150715 |
Serial |
4983 |
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Permanent link to this record |
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Author |
Zhang, R.; Wu, Z.; Li, X.J.; Li, L.L.; Chen, Q.; Li, Y.-M.; Peeters, F.M. |
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Title |
Fano resonances in bilayer phosphorene nanoring |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
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Volume |
29 |
Issue |
21 |
Pages |
215202 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Tunable transport properties and Fano resonances are predicted in a circular bilayer phosphorene nanoring. The conductance exhibits Fano resonances with varying incident energy and applied perpendicular magnetic field. These Fano resonance peaks can be accurately fitted with the well known Fano curves. When a magnetic field is applied to the nanoring, the conductance oscillates periodically with magnetic field which is reminiscent of the Aharonov-Bohm effect. Fano resonances are tightly related to the discrete states in the central nanoring, some of which are tunable by the magnetic field. |
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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 |
000428920200001 |
Publication Date |
2018-03-08 |
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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 |
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 |
4 |
Open Access |
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Notes |
; This work was supported by Grant No. 2017YFA0303400 from the National Key R&D Program of China, the Flemish Science Foundation, the grants No. 2016YFE0110000, No. 2015CB921503, and No. 2016YFA0202300 from the MOST of China, the NSFC (Grants Nos. 11504366, 11434010, 61674145 and 61774168) and CAS (Grants No. QYZDJ-SSW-SYS001). ; |
Approved |
Most recent IF: 3.44 |
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Call Number |
UA @ lucian @ c:irua:150713UA @ admin @ c:irua:150713 |
Serial |
4968 |
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Permanent link to this record |
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Author |
Gul, A.; Bacaksiz, C.; Unsal, E.; Akbali, B.; Tomak, A.; Zareie, H.M.; Sahin, H. |
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Title |
Theoretical and experimental investigation of conjugation of 1,6-hexanedithiol on MoS2 |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Materials Research Express |
Abbreviated Journal |
Mater Res Express |
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Volume |
5 |
Issue |
3 |
Pages |
036415 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We report an experimental and theoretical investigation of conjugation of 1,6-Hexaneditihiol (HDT) on MoS2 which is prepared by mixing MoS2 structure and HDT molecules in proper solvent. Raman spectra and the calculated phonon bands reveal that the HDT molecules bind covalently to MoS2. Surface morphology of MoS2/HDTstructure is changed upon conjugation ofHDTon MoS2 and characterized by using Scanning Electron Microscope (SEM). Density Functional Theory (DFT) based calculations show that HOMO-LUMO band gap of HDT is altered after the conjugation and two-S binding (handle-like) configuration is energetically most favorable among three different structures. This study displays that the facile thiol functionalization process of MoS2 is promising strategy for obtaining solution processable MoS2. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
IOP Publishing |
Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000428781400003 |
Publication Date |
2018-03-07 |
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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 |
2053-1591 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.068 |
Times cited |
2 |
Open Access |
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Notes |
; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). HS acknowledges financial support from the TUBITAK under the project number 116C073. HS acknowledges support from Bilim Akademisi-The Science Academy, Turkey under the BAGEP program. ; |
Approved |
Most recent IF: 1.068 |
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Call Number |
UA @ lucian @ c:irua:154607UA @ admin @ c:irua:154607 |
Serial |
5133 |
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Permanent link to this record |
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Author |
Mulkers, J.; Van Waeyenberge, B.; Milošević, M.V. |
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Title |
Tunable Snell's law for spin waves in heterochiral magnetic films |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
97 |
Issue |
10 |
Pages |
104422 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Thin ferromagnetic films with an interfacially induced DMI exhibit nontrivial asymmetric dispersion relations that lead to unique and useful magnonic properties. Here we derive an analytical expression for the magnon propagation angle within the micromagnetic framework and show how the dispersion relation can be approximated with a comprehensible geometrical interpretation in the k space of the propagation of spin waves. We further explore the refraction of spin waves at DMI interfaces in heterochiral magnetic films, after deriving a generalized Snell's law tunable by an in-plane magnetic field, that yields analytical expressions for critical incident angles. The found asymmetric Brewster angles at interfaces of regions with different DMI strengths, adjustable by magnetic field, support the conclusion that heterochiral ferromagnetic structures are an ideal platform for versatile spin-wave guides. |
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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 |
000428238600006 |
Publication Date |
2018-03-26 |
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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 |
|
Series Issue |
|
Edition |
|
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|
ISSN |
2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
20 |
Open Access |
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Notes |
This work was supported by the Research Foundation- Flanders (FWO-Vlaanderen) through Project No. G098917N. |
Approved |
Most recent IF: 3.836 |
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Call Number |
CMT @ cmt @c:irua:150118UA @ admin @ c:irua:150118 |
Serial |
4915 |
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Permanent link to this record |
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Author |
Cavalcante, L.S.R.; Chaves, A.; Van Duppen, B.; Peeters, F.M.; Reichman, D.R. |
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Title |
Electrostatics of electron-hole interactions in van der Waals heterostructures |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
97 |
Issue |
12 |
Pages |
125427 |
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|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The role of dielectric screening of electron-hole interaction in van der Waals heterostructures is theoretically investigated. A comparison between models available in the literature for describing these interactions is made and the limitations of these approaches are discussed. A simple numerical solution of Poisson's equation for a stack of dielectric slabs based on a transfer matrix method is developed, enabling the calculation of the electron-hole interaction potential at very low computational cost and with reasonable accuracy. Using different potential models, direct and indirect exciton binding energies in these systems are calculated within Wannier-Mott theory, and a comparison of theoretical results with recent experiments on excitons in two-dimensional materials is discussed. |
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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 |
000427983700007 |
Publication Date |
2018-03-21 |
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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 |
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Series Issue |
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Edition |
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ISSN |
2469-9950 |
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 |
22 |
Open Access |
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Notes |
Discussions with A. Chernikov and A. Raja are gratefully acknowledged. This work has been financially supported by CNPq, through the PRONEX/FUNCAP, PQ, and Science Without Borders programs, and the FWO-CNPq bilateral program between Brazil and Flanders. B.V.D. acknowledges support from the Flemish Science Foundation (FWO-Vl) through a postdoctoral fellowship. D.R.R. was supported by NSF CHE-1464802. |
Approved |
Most recent IF: 3.836 |
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Call Number |
CMT @ cmt @c:irua:150835UA @ admin @ c:irua:150835 |
Serial |
4953 |
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Permanent link to this record |
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Author |
Nakhaee, M.; Ketabi, S.A.; Peeters, F.M. |
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Title |
Tight-binding model for borophene and borophane |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
97 |
Issue |
12 |
Pages |
125424 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Starting from the simplified linear combination of atomic orbitals method in combination with first-principles calculations, we construct a tight-binding (TB) model in the two-centre approximation for borophene and hydrogenated borophene (borophane). The Slater and Koster approach is applied to calculate the TB Hamiltonian of these systems. We obtain expressions for the Hamiltonian and overlap matrix elements between different orbitals for the different atoms and present the SK coefficients in a nonorthogonal basis set. An anisotropic Dirac cone is found in the band structure of borophane. We derive a Dirac low-energy Hamiltonian and compare the Fermi velocities with that of graphene. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000427983700004 |
Publication Date |
2018-03-21 |
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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 |
|
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ISSN |
2469-9969; 2469-9950 |
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 |
45 |
Open Access |
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Notes |
; Discussions with Dr. Vahid Derakhshan and M. A. M. Keshtan are gratefully acknowledged. This paper is supported by the Methusalem program of the Flemish government and the FLAT-ERA Project TRANS-2D-TMD. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:150836UA @ admin @ c:irua:150836 |
Serial |
4987 |
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Permanent link to this record |
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Author |
Andelkovic, M.; Covaci, L.; Peeters, F.M. |
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Title |
DC conductivity of twisted bilayer graphene: Angle-dependent transport properties and effects of disorder |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review materials |
Abbreviated Journal |
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Volume |
2 |
Issue |
3 |
Pages |
034004 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The in-plane dc conductivity of twisted bilayer graphene is calculated using an expansion of the real-space Kubo-Bastin conductivity in terms of Chebyshev polynomials. We investigate within a tight-binding approach the transport properties as a function of rotation angle, applied perpendicular electric field, and vacancy disorder. We find that for high-angle twists, the two layers are effectively decoupled, and the minimum conductivity at the Dirac point corresponds to double the value observed in monolayer graphene. This remains valid even in the presence of vacancies, hinting that chiral symmetry is still preserved. On the contrary, for low twist angles, the conductivity at the Dirac point depends on the twist angle and is not protected in the presence of disorder. Furthermore, for low angles and in the presence of an applied electric field, we find that the chiral boundary states emerging between AB and BA regions contribute to the dc conductivity, despite the appearance of localized states in the AA regions. The results agree qualitatively with recent transport experiments in low-angle twisted bilayer graphene. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
College Park, Md |
Editor |
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Language |
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Wos |
000427822700002 |
Publication Date |
2018-03-20 |
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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 |
2475-9953 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
27 |
Open Access |
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Notes |
; We acknowledge financial support from the graphene FLAG-ERA project TRANS2DTMD. ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:150838UA @ admin @ c:irua:150838 |
Serial |
4964 |
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Permanent link to this record |
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Author |
Yagmurcukardes, M.; Bacaksiz, C.; Unsal, E.; Akbali, B.; Senger, R.T.; Sahin, H. |
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Title |
Strain mapping in single-layer two-dimensional crystals via Raman activity |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
97 |
Issue |
11 |
Pages |
115427 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
By performing density functional theory-based ab initio calculations, Raman-active phonon modes of single-layer two-dimensional (2D) materials and the effect of in-plane biaxial strain on the peak frequencies and corresponding activities of the Raman-active modes are calculated. Our findings confirm the Raman spectrum of the unstrained 2D crystals and provide expected variations in the Raman-active modes of the crystals under in-plane biaxial strain. The results are summarized as follows: (i) frequencies of the phonon modes soften (harden) under applied tensile (compressive) strains; (ii) the response of the Raman activities to applied strain for the in-plane and out-of-plane vibrational modes have opposite trends, thus, the built-in strains in the materials can be monitored by tracking the relative activities of those modes; (iii) in particular, the A peak in single-layer Si and Ge disappears under a critical tensile strain; (iv) especially in mono-and diatomic single layers, the shift of the peak frequencies is a stronger indication of the strain rather than the change in Raman activities; (v) Raman-active modes of single-layer ReX2 (X = S, Se) are almost irresponsive to the applied strain. Strain-induced modifications in the Raman spectrum of 2D materials in terms of the peak positions and the relative Raman activities of the modes could be a convenient tool for characterization. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000427799300006 |
Publication Date |
2018-03-19 |
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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 |
2469-9969; 2469-9950 |
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 |
21 |
Open Access |
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Notes |
; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges financial support from the Scientific and Technological Research Council of Turkey (TUBITAK) under Project No. 116C073. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:150840UA @ admin @ c:irua:150840 |
Serial |
4979 |
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Permanent link to this record |
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Author |
Pinto, N.; Rezvani, S.J.; Perali, A.; Flammia, L.; Milošević, M.V.; Fretto, M.; Cassiago, C.; De Leo, N. |
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Title |
Dimensional crossover and incipient quantum size effects in superconducting niobium nanofilms |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
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Volume |
8 |
Issue |
8 |
Pages |
4710 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Superconducting and normal state properties of Niobium nanofilms have been systematically investigated as a function of film thickness, on different substrates. The width of the superconductingto- normal transition for all films is remarkably narrow, confirming their high quality. The superconducting critical current density exhibits a pronounced maximum for thickness around 25 nm, marking the 3D-to-2D crossover. The magnetic penetration depth shows a sizeable enhancement for the thinnest films. Additional amplification effects of the superconducting properties have been obtained with sapphire substrates or squeezing the lateral size of the nanofilms. For thickness close to 20 nm we measured a doubled perpendicular critical magnetic field compared to its large thickness value, indicating shortening of the correlation length and the formation of small Cooper pairs. Our data analysis indicates an exciting interplay between quantum-size and proximity effects together with strong-coupling effects and the importance of disorder in the thinnest films, placing these nanofilms close to the BCS-BEC crossover regime. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Nature Publishing Group |
Place of Publication |
London |
Editor |
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Language |
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Wos |
000427588300011 |
Publication Date |
2018-03-12 |
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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 |
2045-2322 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.259 |
Times cited |
37 |
Open Access |
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Notes |
; We thank Antonio Bianconi, Mauro Doria and Vincenzo Lacquaniti for useful discussions. We acknowledge the collaboration with Federica Celegato for AFM analysis and Sara Quercetti for the electrical properties characterization. A. P. and N. P. acknowledge financial support from University of Camerino FAR project CESEMN. We also acknowledge the collaboration within the MultiSuper International Network (http://www.multisuper.org) for exchange of ideas and suggestions. ; |
Approved |
Most recent IF: 4.259 |
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Call Number |
UA @ lucian @ c:irua:150843UA @ admin @ c:irua:150843 |
Serial |
4965 |
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Permanent link to this record |
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Author |
De Clercq, M.; Moors, K.; Sankaran, K.; Pourtois, G.; Dutta, S.; Adelmann, C.; Magnus, W.; Sorée, B. |
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Title |
Resistivity scaling model for metals with conduction band anisotropy |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review materials |
Abbreviated Journal |
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Volume |
2 |
Issue |
3 |
Pages |
033801 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
It is generally understood that the resistivity of metal thin films scales with film thickness mainly due to grain boundary and boundary surface scattering. Recently, several experiments and ab initio simulations have demonstrated the impact of crystal orientation on resistivity scaling. The crystal orientation cannot be captured by the commonly used resistivity scaling models and a qualitative understanding of its impact is currently lacking. In this work, we derive a resistivity scaling model that captures grain boundary and boundary surface scattering as well as the anisotropy of the band structure. The model is applied to Cu and Ru thin films, whose conduction bands are (quasi-) isotropic and anisotropic, respectively. After calibrating the anisotropy with ab initio simulations, the resistivity scaling models are compared to experimental resistivity data and a renormalization of the fitted grain boundary reflection coefficient can be identified for textured Ru. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
College Park, Md |
Editor |
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Language |
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Wos |
000426787600001 |
Publication Date |
2018-03-07 |
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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 |
2475-9953 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
; The authors acknowledge the support by the Fonds National de la Recherche Luxembourg (ATTRACT Grant No. 7556175). ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:149866UA @ admin @ c:irua:149866 |
Serial |
4947 |
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Permanent link to this record |
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Author |
Iyikanat, F.; Yagmurcukardes, M.; Senger, R.T.; Sahin, H. |
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Title |
Tuning electronic and magnetic properties of monolayer \alpha-RuCl3 by in-plane strain |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of materials chemistry C : materials for optical and electronic devices |
Abbreviated Journal |
J Mater Chem C |
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Volume |
6 |
Issue |
8 |
Pages |
2019-2025 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
By employing density functional theory-based methods, the structural, vibrational, electronic, and magnetic properties of monolayer -RuCl3 were investigated. It was demonstrated that ferromagnetic (FM) and zigzag-antiferromagnetic (ZZ-AFM) spin orders in the material have very close total energies with the latter being the ground state. We found that each Ru atom possesses a magnetic moment of 0.9 (B) and the material exhibits strong magnetic anisotropy. While both phases exhibit indirect gaps, the FM phase is a magnetic semiconductor and the ZZ-AFM phase is a non-magnetic semiconductor. The structural stability of the material was confirmed by phonon calculations. Moreover, dynamical analysis revealed that the magnetic order in the material can be monitored via Raman measurements of the crystal structure. In addition, the magnetic ground state of the material changes from ZZ-AFM to FM upon certain applied strains. Valence and conduction band-edges of the material vary considerably under in-plane strains. Owing to the stable lattice structure and unique and controllable magnetic properties, monolayer -RuCl3 is a promising material in nanoscale device applications. |
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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 |
000426483800015 |
Publication Date |
2018-01-22 |
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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 |
2050-7526; 2050-7534 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.256 |
Times cited |
16 |
Open Access |
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Notes |
; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H. S. acknowledges financial support from TUBITAK under project number 116C073. H. S. also acknowledges support from Bilim Akademisi-The Science Academy, Turkey, under the BAGEP program. ; |
Approved |
Most recent IF: 5.256 |
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Call Number |
UA @ lucian @ c:irua:149900UA @ admin @ c:irua:149900 |
Serial |
4952 |
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Permanent link to this record |
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Author |
Pourtois, G.; Dabral, A.; Sankaran, K.; Magnus, W.; Yu, H.; de de Meux, A.J.; Lu, A.K.A.; Clima, S.; Stokbro, K.; Schaekers, M.; Houssa, M.; Collaert, N.; Horiguchi, N. |
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Title |
Probing the intrinsic limitations of the contact resistance of metal/semiconductor interfaces through atomistic simulations |
Type |
P1 Proceeding |
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Year |
2017 |
Publication |
Semiconductors, Dielectrics, And Metals For Nanoelectronics 15: In Memory Of Samares Kar |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
303-311 |
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Keywords |
P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
In this contribution, we report a fundamental study of the factors that set the contact resistivity between metals and highly doped semiconductors. We investigate the case of n-type doped Si contacted with amorphous TiSi combining first-principles calculations with Non-Equilibrium Green functions transport simulations. The intrinsic contact resistivity is found to saturate at similar to 2x10(-10) Omega.cm(2) with the doping concentration and sets an intrinsic limit to the ultimate contact resistance achievable for n-doped Si vertical bar amorphous-TiSi. This limit arises from the intrinsic properties of the semiconductor and of the metal such as their electron effective masses and Fermi energies. We illustrate that, in this regime, contacting metals with a heavy electron effective mass helps reducing the interface intrinsic contact resistivity. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Electrochemical soc inc |
Place of Publication |
Pennington |
Editor |
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Language |
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Wos |
000426271800028 |
Publication Date |
2017-10-17 |
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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 |
80 |
Series Issue |
1 |
Edition |
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ISSN |
978-1-62332-470-4; 978-1-60768-818-1 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
1 |
Open Access |
Not_Open_Access |
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Notes |
; ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:149966 |
Serial |
4976 |
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Permanent link to this record |
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Author |
Chen, Q.; Li, L.L.; Peeters, F.M. |
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Title |
Magnetic field dependence of electronic properties of MoS2 quantum dots with different edges |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
97 |
Issue |
8 |
Pages |
085437 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Using the tight-binding approach, we investigate the energy spectrum of square, triangular, and hexagonal MoS2 quantum dots (QDs) in the presence of a perpendicular magnetic field. Novel edge states emerge in MoS2 QDs, which are distributed over the whole edge which we call ring states. The ring states are robust in the presence of spin-orbit coupling (SOC). The corresponding energy levels of the ring states oscillate as a function of the perpendicular magnetic field which are related to Aharonov-Bohm oscillations. Oscillations in the magnetic field dependence of the energy levels and the peaks in the magneto-optical spectrum emerge (disappear) as the ring states are formed (collapsed). The period and the amplitude of the oscillation decrease with the size of the MoS2 QDs. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000426042800009 |
Publication Date |
2018-02-26 |
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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 |
|
Series Issue |
|
Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
3.836 |
Times cited |
18 |
Open Access |
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Notes |
; Q. Chen acknowledges financial support from the (China Scholarship Council (CSC)). This work was also supported by Hunan Provincial Natural Science Foundation of China (Grant No. 2015JJ2040) and by the Scientific Research Fund of Hunan Provincial Education Department (Grant No. 15A042). Additional support from the FLAG-ERA TRANS-2D-TMD is acknowledged. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:149905UA @ admin @ c:irua:149905 |
Serial |
4941 |
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Permanent link to this record |
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Author |
Wang, W.; Van Duppen, B.; Van der Donck, M.; Peeters, F.M. |
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Title |
Magnetopolaron effect on shallow-impurity states in the presence of magnetic and intense terahertz laser fields in the Faraday configuration |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
97 |
Issue |
6 |
Pages |
064108 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The magnetopolaron effect on shallow-impurity states in semiconductors is investigated when subjected simultaneously to a magnetic field and an intense terahertz laser field within the Faraday configuration. We use a time-dependent nonperturbative theory to describe electron interactions. The externally applied fields are exactly included via a laser-dressed interaction potential. Through a variational approach we evaluate the binding energy of the shallow-impurity states. We find that the interaction strength of the laser-dressed Coulomb potential can not only be enhanced but also weakened by varying the two external fields. In this way, the binding energy can be tuned by the external fields and red-or blue-shifted with respect to the static binding energy. In the nonresonant polaron region, a magnetopolaron correction that includes the effects of photon process is observed. In the resonant polaron region, moreover, the resonant magnetopolaron effect accompanied by the emission and absorption of a single photon is distinctly observed. This can be modulated to be far away from the reststrahlen band. The intriguing findings of this paper can be observed experimentally and, in turn, provide a way to measure the strength of the electron-phonon interaction. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000426041900004 |
Publication Date |
2018-02-26 |
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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 |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
9 |
Open Access |
|
|
|
Notes |
; This work was supported by the National Natural Science Foundation of China (Grants No. 11404214 and No. 11455015) and the China Scholarship Council (CSC), Anhui Provincial Natural Science Foundation (Grant No. 1408085QA13), Key Projects of Anhui Provincial Department of Education (Grants No. KJ2017A406 and No. KJ2017A401). B.V.D. was financially supported by the Research Science Foundation-Flanders (FWO-Vl) through a postdoctoral fellowship and M.V.d.D. was financially supported by the Research Science Foundation-Flanders (FWO-Vl) through a doctoral fellowship. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:149906UA @ admin @ c:irua:149906 |
Serial |
4942 |
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Permanent link to this record |
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Author |
Klimin, S.N.; Tempere, J.; Milošević, M.V. |
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Title |
Diversified vortex phase diagram for a rotating trapped two-band Fermi gas in the BCS-BEC crossover |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
|
|
Volume |
20 |
Issue |
20 |
Pages |
025010 |
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|
Keywords |
A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT) |
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|
Abstract |
We report the equilibrium vortex phase diagram of a rotating two-band Fermi gas confined to a cylindrically symmetric parabolic trapping potential, using the recently developed finite-temperature effective field theory (Klimin et al 2016 Phys. Rev. A 94 023620). A non-monotonic resonant dependence of the free energy as a function of the temperature and the rotation frequency is revealed for a two-band superfluid. We particularly focus on novel features that appear as a result of interband interactions and can be experimentally resolved. The resonant dependence of the free energy is directly manifested in vortex phase diagrams, where areas of stability for both integer and fractional vortex states are found. The study embraces the BCS-BEC crossover regime and the entire temperature range below the critical temperature T-c. Significantly different behavior of vortex matter as a function of the interband coupling is revealed in the BCS and BEC regimes. |
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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 |
000426002900001 |
Publication Date |
2018-02-05 |
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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 |
|
Series Issue |
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Edition |
|
|
|
ISSN |
1367-2630 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
3.786 |
Times cited |
6 |
Open Access |
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Notes |
; We thank C A R Sa de Melo and N Verhelst for valuable discussions. This work has been supported by the Research Foundation-Flanders (FWO-Vl), project nrs. G.0115.12N, G.0119.12N, G.0122.12N, G.0429.15N, G.0666.16N, by the Scientific Research Network of the Flemish Research Foundation, WO.033.09N, and by the Research Fund of the University of Antwerp. ; |
Approved |
Most recent IF: 3.786 |
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Call Number |
UA @ lucian @ c:irua:149909UA @ admin @ c:irua:149909 |
Serial |
4930 |
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Permanent link to this record |
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Author |
Leliaert, J.; Dvornik, M.; Mulkers, J.; De Clercq, J.; Milošević, M.V.; Van Waeyenberge, B. |
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Title |
Fast micromagnetic simulations on GPU-recent advances made with mumax3 |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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|
Volume |
51 |
Issue |
12 |
Pages |
123002 |
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|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
In the last twenty years, numerical modeling has become an indispensable part of magnetism research. It has become a standard tool for both the exploration of new systems and for the interpretation of experimental data. In the last five years, the capabilities of micromagnetic modeling have dramatically increased due to the deployment of graphical processing units (GPU), which have sped up calculations to a factor of 200. This has enabled many studies which were previously unfeasible. In this topical review, we give an overview of this modeling approach and show how it has contributed to the forefront of current magnetism research. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Iop publishing ltd |
Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000425774100001 |
Publication Date |
2018-01-29 |
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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 |
|
Series Issue |
|
Edition |
|
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ISSN |
0022-3727 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
65 |
Open Access |
|
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|
Notes |
; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vlaanderen) through Project No. G098917N. JL is supported by the Ghent University Special Research Fund (BOF postdoctoral fellowship). We gratefully acknowledge the support of the NVIDIA Corporation with the donation of a Titan Xp GPU used for this research. ; |
Approved |
Most recent IF: 2.588 |
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Call Number |
UA @ lucian @ c:irua:149852UA @ admin @ c:irua:149852 |
Serial |
4934 |
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Permanent link to this record |
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Author |
Van der Donck, M.; Zarenia, M.; Peeters, F.M. |
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Title |
Strong valley Zeeman effect of dark excitons in monolayer transition metal dichalcogenides in a tilted magnetic field |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
97 |
Issue |
8 |
Pages |
081109 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The dependence of the excitonic photoluminescence (PL) spectrum of monolayer transition metal dichalcogenides (TMDs) on the tilt angle of an applied magnetic field is studied. Starting from a four-band Hamiltonian we construct a theory which quantitatively reproduces the available experimental PL spectra for perpendicular and in-plane magnetic fields. In the presence of a tilted magnetic field, we demonstrate that the dark exciton PL peaks brighten due to the in-plane component of the magnetic field and split for light with different circular polarizations as a consequence of the perpendicular component of the magnetic field. This splitting is more than twice as large as the splitting of the bright exciton peaks in tungsten-based TMDs. We propose an experimental setup that will allow for accessing the predicted splitting of the dark exciton peaks in the PL spectrum. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000425603600001 |
Publication Date |
2018-02-21 |
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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 |
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Series Issue |
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Edition |
|
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ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
21 |
Open Access |
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|
Notes |
; This Rapid Communication was supported by the Research Foundation of Flanders (FWO-Vl) through an aspirant research grant for MVDD and by the Methusalem Foundation of the Flemish Government. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:149913UA @ admin @ c:irua:149913 |
Serial |
4948 |
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Permanent link to this record |
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Author |
Leenaerts, O.; Partoens, B.; Peeters, F.M.; Volodin, A.; van Haesendonck, C. |
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Title |
The work function of few-layer graphene |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
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Volume |
29 |
Issue |
3 |
Pages |
035003 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
A theoretical and experimental study of the work function of few-layer graphene is reported. The influence of the number of layers on the work function is investigated in the presence of a substrate, a molecular dipole layer, and combinations of the two. The work function of few-layer graphene is almost independent of the number of layers with only a difference between monolayer and multilayer graphene of about 60 meV. In the presence of a charge-donating substrate the charge distribution is found to decay exponentially away from the substrate and this is directly reflected in the work function of few-layer graphene. A dipole layer changes the work function only when placed in between the substrate and few-layer graphene through a change of the charge transfer between the two. |
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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 |
000425250600002 |
Publication Date |
2016-11-16 |
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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 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
61 |
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:164938 |
Serial |
8760 |
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Permanent link to this record |
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Author |
Gonzalez-Garcia, A.; Lopez-Perez, W.; Rivera-Julio, J.; Peeters, F.M.; Mendoza-Estrada, V.; Gonzalez-Hernandez, R. |
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Title |
Structural, mechanical and electronic properties of two-dimensional structure of III-arsenide (111) binary compounds: An ab-initio study |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Computational materials science |
Abbreviated Journal |
Comp Mater Sci |
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Volume |
144 |
Issue |
144 |
Pages |
285-293 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Structural, mechanical and electronic properties of two-dimensional single-layer hexagonal structures in the (111) crystal plane of IIIAs-ZnS systems (III = B, Ga and In) are studied by first-principles calculations based on density functional theory (DFT). Elastic and phonon dispersion relation display that 2D h-IIIAs systems (III = B, Ga and In) are both mechanical and dynamically stable. Electronic structures analysis show that the semiconducting nature of the 3D-IIIAs compounds is retained by their 2D single layer counterpart. Furthermore, density of states reveals the influence of sigma and pi bonding in the most stable geometry (planar or buckled) for 2D h-IIIAs systems. Calculations of elastic constants show that the Young's modulus, bulk modulus and shear modulus decrease for 2D h-IIIAs binary compounds as we move down on the group of elements of the periodic table. In addition, as the bond length between the neighboring cation-anion atoms increases, the 2D h-IIIAs binary compounds display less stiffness and more plasticity. Our findings can be used to understand the contribution of the r and p bonding in the most stable geometry (planar or buckled) for 2D h-IIIAs systems. Structural and electronic properties of h-IIIAs systems as a function of the number of layers have been also studied. It is shown that h-BAs keeps its planar geometry while both h-GAs and h-InAs retained their buckled ones obtained by their single layers. Bilayer h-IIIAs present the same bandgap nature of their counterpart in 3D. As the number of layers increase from 2 to 4, the bandgap width for layered h-IIIAs decreases until they become semimetal or metal. Interestingly, these results are different to those found for layered h-GaN. The results presented in this study for single and few-layer h-IIIAs structures could give some physical insights for further theoretical and experimental studies of 2D h-IIIV-like systems. (C) 2017 Elsevier B.V. All rights reserved. |
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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 |
000424902300036 |
Publication Date |
2017-12-29 |
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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 |
|
Series Issue |
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Edition |
|
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ISSN |
0927-0256 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.292 |
Times cited |
3 |
Open Access |
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|
Notes |
; This work has been carried out by 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. ; |
Approved |
Most recent IF: 2.292 |
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Call Number |
UA @ lucian @ c:irua:149897UA @ admin @ c:irua:149897 |
Serial |
4949 |
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Permanent link to this record |
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Author |
Mobaraki, A.; Kandemir, A.; Yapicioglu, H.; Gulseren, O.; Sevik, C. |
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Title |
Validation of inter-atomic potential for WS2 and WSe2 crystals through assessment of thermal transport properties |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Computational materials science |
Abbreviated Journal |
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Volume |
144 |
Issue |
|
Pages |
92-98 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
In recent years, transition metal dichalcogenides (TMDs) displaying astonishing properties are emerged as a new class of two-dimensional layered materials. The understanding and characterization of thermal transport in these materials are crucial for efficient engineering of 2D TMD materials for applications such as thermoelectric devices or overcoming general overheating issues. In this work, we obtain accurate Stillinger-Weber type empirical potential parameter sets for single-layer WS2 and WSe2 crystals by utilizing particle swarm optimization, a stochastic search algorithm. For both systems, our results are quite consistent with first-principles calculations in terms of bond distances, lattice parameters, elastic constants and vibrational properties. Using the generated potentials, we investigate the effect of temperature on phonon energies and phonon linewidth by employing spectral energy density analysis. We compare the calculated frequency shift with respect to temperature with corresponding experimental data, clearly demonstrating the accuracy of the generated inter-atomic potentials in this study. Also, we evaluate the lattice thermal conductivities of these materials by means of classical molecular dynamics simulations. The predicted thermal properties are in very good agreement with the ones calculated from first-principles. (C) 2017 Elsevier B.V. All rights reserved. |
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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 |
000424902300013 |
Publication Date |
2017-12-16 |
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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 |
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Series Issue |
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Edition |
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ISSN |
0927-0256 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:193774 |
Serial |
8729 |
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Permanent link to this record |
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Author |
Li, L.L.; Peeters, F.M. |
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Title |
Quantum transport in defective phosphorene nanoribbons : effects of atomic vacancies |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
97 |
Issue |
7 |
Pages |
075414 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Defects are almost inevitably present in realistic materials and defective materials are expected to exhibit very different properties than their nondefective (perfect) counterparts. Here, using a combination of the tight-binding approach and the scattering matrix formalism, we investigate the electronic transport properties of defective phosphorene nanoribbons (PNRs) containing atomic vacancies. We find that for both armchair PNRs (APNRs) and zigzag PNRs (ZPNRs), single vacancies can create quasilocalized states, which can affect their conductance. With increasing vacancy concentration, three different transport regimes are identified: ballistic, diffusive, and Anderson localized ones. In particular, ZPNRs that are known to be metallic due to the presence of edge states become semiconducting: edge conductance vanishes and transport gap appears due to Anderson localization. Moreover, we find that for a fixed vacancy concentration, both APNRs and ZPNRs of narrower width and/or longer length are more sensitive to vacancy disorder than their wider and/or shorter counterparts, and that for the same ribbon length and width, ZPNRs are more sensitive to vacancy disorder than APNRs. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000424901800006 |
Publication Date |
2018-02-13 |
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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 |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
3.836 |
Times cited |
30 |
Open Access |
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|
Notes |
; This work was financially supported by the Flemish Science Foundation (FWO-Vl), the FLAG-ERA TRANS 2D TMD, and by the Chinese Academy of Sciences (CAS). ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:149255UA @ admin @ c:irua:149255 |
Serial |
4946 |
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Permanent link to this record |
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Author |
Berdiyorov, G.R.; Milošević, M.V.; Kusmartsev, F.; Peeters, F.M.; Savel'ev, S. |
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Title |
Josephson vortex loops in nanostructured Josephson junctions |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
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Volume |
8 |
Issue |
8 |
Pages |
2733 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Linked and knotted vortex loops have recently received a revival of interest. Such three-dimensional topological entities have been observed in both classical-and super-fluids, as well as in optical systems. In superconductors, they remained obscure due to their instability against collapse – unless supported by inhomogeneous magnetic field. Here we reveal a new kind of vortex matter in superconductors -the Josephson vortex loops – formed and stabilized in planar junctions or layered superconductors as a result of nontrivial cutting and recombination of Josephson vortices around the barriers for their motion. Engineering latter barriers opens broad perspectives on loop manipulation and control of other possible knotted/linked/entangled vortex topologies in nanostructured superconductors. In the context of Josephson devices proposed to date, the high-frequency excitations of the Josephson loops can be utilized in future design of powerful emitters, tunable filters and waveguides of high-frequency electromagnetic radiation, thereby pushing forward the much needed Terahertz technology. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Nature Publishing Group |
Place of Publication |
London |
Editor |
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Language |
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Wos |
000424630400046 |
Publication Date |
2018-02-05 |
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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 |
|
Series Issue |
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Edition |
|
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ISSN |
2045-2322 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
4.259 |
Times cited |
10 |
Open Access |
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|
Notes |
; This work was supported by EU Marie-Curie program (project No: 253057), Special Research Funds of the University of Antwerp (BOF-UA), and by the Research Foundation – Flanders (FWO). ; |
Approved |
Most recent IF: 4.259 |
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Call Number |
UA @ lucian @ c:irua:149262UA @ admin @ c:irua:149262 |
Serial |
4940 |
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Permanent link to this record |
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Author |
Peymanirad, F.; Singh, S.K.; Ghorbanfekr-Kalashami, H.; Novoselov, K.S.; Peeters, F.M.; Neek-Amal, M. |
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Title |
Thermal activated rotation of graphene flake on graphene |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
2D materials |
Abbreviated Journal |
2D Mater |
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Volume |
4 |
Issue |
2 |
Pages |
025015 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The self rotation of a graphene flake over graphite is controlled by the size, initial misalignment and temperature. Using both ab initio calculations and molecular dynamics simulations, we investigate annealing effects on the self rotation of a graphene flake on a graphene substrate. The energy barriers for rotation and drift of a graphene flake over graphene is found to be smaller than 25 meV/atom which is comparable to thermal energy. We found that small flakes (of about similar to 4 nm) are more sensitive to temperature and initial misorientation angles than larger one (beyond 10 nm). The initial stacking configuration of the flake is found to be important for its dynamics and time evolution of misalignment. Large flakes, which are initially in the AA-or AB-stacking state with small misorientation angle, rotate and end up in the AB-stacking configuration. However small flakes can they stay in an incommensurate state specially when the initial misorientation angle is larger than 2 degrees. Our results are in agreement with recent experiments. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
IOP Publishing |
Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000424399600005 |
Publication Date |
2017-02-02 |
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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 |
|
Series Issue |
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Edition |
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ISSN |
2053-1583 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
6.937 |
Times cited |
16 |
Open Access |
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Notes |
; We would like to acknowledge Annalisa Fasolino and MM van Wijk for providing us with the implemented parameters of REBO-KC [5] in LAMMPS. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation. ; |
Approved |
Most recent IF: 6.937 |
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Call Number |
UA @ lucian @ c:irua:149364 |
Serial |
4984 |
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Permanent link to this record |