| Records |
| Author |
Abakumov, A.M.; Batuk, D.; Tsirlin, A.A.; Prescher, C.; Dubrovinsky, L.; Sheptyakov, D.V.; Schnelle, W.; Hadermann, J.; Van Tendeloo, G. |
| Title |
Frustrated pentagonal Cairo lattice in the non-collinear antiferromagnet Bi4Fe5O13F |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume  |
87 |
Issue |
2 |
Pages |
024423-24429 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
We report on the crystal structure and magnetism of the iron-based oxyfluoride Bi4Fe5O13F, a material prototype of the Cairo pentagonal spin lattice. The crystal structure of Bi4Fe5O13F is determined by a combination of neutron diffraction, synchrotron x-ray diffraction, and transmission electron microscopy. It comprises layers of FeO6 octahedra and FeO4 tetrahedra forming deformed pentagonal units. The topology of these layers resembles a pentagonal least-perimeter tiling, which is known as the Cairo lattice. This topology gives rise to frustrated exchange couplings and underlies a sequence of magnetic transitions at T-1 = 62 K, T-2 = 71 K, and T-N = 178 K, as determined by thermodynamic measurements and neutron diffraction. Below T-1, Bi4Fe5O13F forms a fully ordered non-collinear antiferromagnetic structure, whereas the magnetic state between T-1 and T-N may be partially disordered according to the sizable increase in the magnetic entropy at T-1 and T-2. Bi4Fe5O13F reveals unanticipated magnetic transitions on the pentagonal Cairo spin lattice and calls for a further work on finite-temperature properties of this strongly frustrated spin model. DOI: 10.1103/PhysRevB.87.024423 |
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Place of Publication |
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Editor |
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Wos |
000314224800002 |
Publication Date |
2013-02-01 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
17 |
Open Access |
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| Notes |
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Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| Call Number |
UA @ lucian @ c:irua:107688 |
Serial |
1293 |
| Permanent link to this record |
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| |
| Author |
De Beule, C.; Partoens, B. |
| Title |
Gapless interface states at the junction between two topological insulators |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
87 |
Issue |
11 |
Pages |
115113-115116 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We consider a junction between two topological insulators and calculate the properties of the interface states with an effective low-energy Hamiltonian for topological insulators with a single cone on the surface. This system bears a close resemblance to bilayer graphene, as both result from the hybridization of Dirac cones. We find gapless interface states not only when the helicity directions of the topological surface states are oppositely oriented, but they can also exist if they are equally oriented. Furthermore, we find that the existence of the interface states can be understood from the closing of the bulk gap when the helicity changes orientation. Recently superluminal tachyonic excitations were also claimed to exist at the interface between topological insulators. However, here we show that these interface states do not exist. DOI: 10.1103/PhysRevB.87.115113 |
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Thesis |
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Place of Publication |
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Editor |
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Wos |
000316101100002 |
Publication Date |
2013-03-08 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
8 |
Open Access |
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| Notes |
; The authors would like to thank Dr. O. Leenaerts for the helpful discussions. This work was supported by the Research Foundation Flanders (FWO). ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| Call Number |
UA @ lucian @ c:irua:108282 |
Serial |
1316 |
| Permanent link to this record |
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| |
| Author |
Orlova, N.V.; Shanenko, A.A.; Milošević, M.V.; Peeters, F.M.; Vagov, A.V.; Axt, V.M. |
| Title |
Ginzburg-Landau theory for multiband superconductors : microscopic derivation |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
87 |
Issue |
13 |
Pages |
134510-134518 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
A procedure to derive the Ginzburg-Landau (GL) theory from the multiband BCS Hamiltonian is developed in a general case with an arbitrary number of bands and arbitrary interaction matrix. It combines the standard Gor'kov truncation and a subsequent reconstruction in order to match accuracies of the obtained terms. This reconstruction recovers the phenomenological GL theory as obtained from the Landau model of phase transitions but offers explicit microscopic expressions for the relevant parameters. Detailed calculations are presented for a three-band system treated as a prototype multiband superconductor. It is demonstrated that the symmetry in the coupling matrix may lead to the chiral ground state with the phase frustration, typical for systems with broken time-reversal symmetry. DOI: 10.1103/PhysRevB.87.134510 |
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Thesis |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000317586700002 |
Publication Date |
2013-04-16 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
57 |
Open Access |
|
| Notes |
; This work was supported by the “Odysseus” Program of the Flemish Government and the Flemish Science Foundation (FWO-Vl). A.A.S. acknowledges useful discussions with D. Neilson. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| Call Number |
UA @ lucian @ c:irua:108464 |
Serial |
1344 |
| Permanent link to this record |
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| |
| Author |
Ding, J.F.; Lebedev, O.I.; Turner, S.; Tian, Y.F.; Hu, W.J.; Seo, J.W.; Panagopoulos, C.; Prellier, W.; Van Tendeloo, G.; Wu, T. |
| Title |
Interfacial spin glass state and exchange bias in manganite bilayers with competing magnetic orders |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
87 |
Issue |
5 |
Pages |
054428-7 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The magnetic properties of manganite bilayers composed of G-type antiferromagnetic (AFM) SrMnO3 and double-exchange ferromagnetic (FM) La0.7Sr0.3MnO3 are studied. A spin-glass state is observed as a result of competing magnetic orders and spin frustration at the La0.7Sr0.3MnO3/SrMnO3 interface. The dependence of the irreversible temperature on the cooling magnetic field follows the Almeida-Thouless line. Although an ideal G-type AFM SrMnO3 is featured with a compensated spin configuration, the bilayers exhibit exchange bias below the spin glass freezing temperature, which is much lower than the Néel temperature of SMO, indicating that the exchange bias is strongly correlated with the spin glass state. The results indicate that the spin frustration that originates from the competition between the AFM super-exchange and the FM double-exchange interactions can induce a strong magnetic anisotropy at the La0.7Sr0.3MnO3/SrMnO3 interface. |
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Thesis |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000315271200002 |
Publication Date |
2013-02-22 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
98 |
Open Access |
|
| Notes |
FWO; COUNTATOMS; Hercules |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| Call Number |
UA @ lucian @ c:irua:107349 |
Serial |
1696 |
| Permanent link to this record |
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| |
| Author |
Singh, S.K.; Neek-Amal, M.; Peeters, F.M. |
| Title |
Melting of graphene clusters |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
87 |
Issue |
13 |
Pages |
134103-134109 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Density-functional tight-binding and classical molecular dynamics simulations are used to investigate the structural deformations and melting of planar carbon nanoclusters C-N with N = 2-55. The minimum-energy configurations for different clusters are used as starting configurations for the study of the temperature effects on the bond breaking and rotation in carbon lines (N < 6), carbon rings (5 < N < 19), and graphene nanoflakes. The larger the rings (graphene nanoflakes) the higher the transition temperature (melting point) with ring-to-line (perfect-to-defective) transition structures. The melting point was obtained by using the bond energy, the Lindemann criteria, and the specific heat. We found that hydrogen-passivated graphene nanoflakes (CNHM) have a larger melting temperature with a much smaller dependence on size. The edges in the graphene nanoflakes exhibit several different metastable configurations (isomers) during heating before melting occurs. DOI: 10.1103/PhysRevB.87.134103 |
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Thesis |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000317390700001 |
Publication Date |
2013-04-11 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
28 |
Open Access |
|
| Notes |
; This work was supported by the EU-Marie Curie IIF Postdoctoral Fellowship No. 299855 (for M.N.-A.), the ESF-EuroGRAPHENE Project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem Foundation of the Flemish Government. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| Call Number |
UA @ lucian @ c:irua:108467 |
Serial |
1987 |
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| Author |
Van Duppen, B.; Sena, S.H.R.; Peeters, F.M. |
| Title |
Multiband tunneling in trilayer graphene |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
87 |
Issue |
19 |
Pages |
195439-10 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The electronic tunneling properties of the two stable forms of trilayer graphene (TLG), rhombohedral ABC and Bernal ABA, are examined for p-n and p-n-p junctions as realized by using a single gate (SG) or a double gate (DG). For the rhombohedral form, due to the chirality of the electrons, the Klein paradox is found at normal incidence for SG devices, while at high-energy interband scattering between additional propagation modes can occur. The electrons in Bernal ABA TLG can have a monolayer- or bilayer-like character when incident on a SG device. Using a DG, however, both propagation modes will couple by breaking the mirror symmetry of the system, which induces intermode scattering and resonances that depend on the width of the DG p-n-p junction. For ABC TLG the DG opens up a band gap which suppresses Klein tunneling. The DG induces also an unexpected asymmetry in the tunneling angle for single-valley electrons. |
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Thesis |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000319281700004 |
Publication Date |
2013-05-23 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
13 |
Open Access |
|
| Notes |
; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN, the Flemish Science Foundation (FWO-VI) by an aspirant research grant to B. Van Duppen and the Methusalem Programme of the Flemish Government. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| Call Number |
UA @ lucian @ c:irua:108998 |
Serial |
2216 |
| Permanent link to this record |
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| Author |
Horzum, S.; Sahin, H.; Cahangirov, S.; Cudazzo, P.; Rubio, A.; Serin, T.; Peeters, F.M. |
| Title |
Phonon softening and direct to indirect band gap crossover in strained single-layer MoSe2 |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
87 |
Issue |
12 |
Pages |
125415-5 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Motivated by recent experimental observations of Tongay et al. [Nano Lett. 12, 5576 (2012)] we show how the electronic properties and Raman characteristics of single layer MoSe2 are affected by elastic biaxial strain. We found that with increasing strain: (1) the E' and E '' Raman peaks (E-2g and E-1g in bulk) exhibit significant redshifts (up to similar to 30 cm(-1)), (2) the position of the A'(1) peak remains at similar to 180 cm(-1) (A(1g) in bulk) and does not change considerably with further strain, (3) the dispersion of low energy flexural phonons crosses over from quadratic to linear, and (4) the electronic band structure undergoes a direct to indirect band gap crossover under similar to 3% biaxial tensile strain. Thus the application of strain appears to be a promising approach for a rapid and reversible tuning of the electronic, vibrational, and optical properties of single layer MoSe2 and similar MX2 dichalcogenides. DOI:10.1103/PhysRevB.87.125415 |
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Place of Publication |
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Editor |
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Wos |
000316383700006 |
Publication Date |
2013-03-14 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
171 |
Open Access |
|
| Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem programme of the Flemish government. Computational resources were partially provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. is supported by a FWO Pegasus Marie Curie Long Fellowship. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| Call Number |
UA @ lucian @ c:irua:108277 |
Serial |
2605 |
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| Author |
Zhang, S.H.; Xu, W.; Badalyan, S.M.; Peeters, F.M. |
| Title |
Piezoelectric surface acoustical phonon limited mobility of electrons in graphene on a GaAs substrate |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
87 |
Issue |
7 |
Pages |
075443-75445 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We study the mobility of Dirac fermions in monolayer graphene on a GaAs substrate, limited by the combined action of the extrinsic potential of piezoelectric surface acoustical phonons of GaAs (PA) and of the intrinsic deformation potential of acoustical phonons in graphene (DA). In the high-temperature (T) regime, the momentum relaxation rate exhibits the same linear dependence on T but different dependencies on the carrier density n, corresponding to the mobility mu proportional to 1 root n and 1/n, respectively for the PA and DA scattering mechanisms. In the low-T Bloch-Gruneisen regime, the mobility shows the same square-root density dependence mu proportional to root n, but different temperature dependencies mu proportional to T-3 and T-4, respectively for PA and DA phonon scattering. DOI: 10.1103/PhysRevB.87.075443 |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000315375200008 |
Publication Date |
2013-02-27 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
25 |
Open Access |
|
| Notes |
; This work was supported by the ESF-Eurocores program EuroGRAPHENE (CONGRAN project) and the Flemish Science Foundation (FWO-VI). ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| Call Number |
UA @ lucian @ c:irua:107655 |
Serial |
2622 |
| Permanent link to this record |
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| Author |
Zhu, J.-J.; Badalyan, S.M.; Peeters, F.M. |
| Title |
Plasmonic excitations in Coulomb-coupled N-layer graphene structures |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
87 |
Issue |
8 |
Pages |
085401-85408 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We study Dirac plasmons and their damping in spatially separated N-layer graphene structures at finite doping and temperatures. The plasmon spectrum consists of one optical excitation with square-root dispersion and N – 1 acoustical excitations with linear dispersion, which are undamped at zero temperature and finite doping within a triangular energy region outside the electron-hole continuum. In the long-wavelength limit the energy and weight of the optical plasmon modes increase, respectively, as the square root and linearly with N in agreement with recent experimental findings. The energy and weight of the upper-lying acoustical branches also increase with N. This increase is strongest for the uppermost acoustical mode, and we find that its energy can exceed at some value of momentum the plasmon energy in an individual graphene sheet. Meanwhile, the energy of the low-lying acoustical branches decreases weakly with N as compared with the single acoustical mode in double-layer graphene structures. Our numerical calculations provide a detailed understanding of the overall behavior of the wave-vector dependence of the optical and acoustical multilayer plasmon modes and show how their dispersion and damping are modified as a function of temperature, interlayer spacing, and inlayer carrier density in (un)balanced graphene multilayer structures. DOI: 10.1103/PhysRevB.87.085401 |
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Thesis |
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Place of Publication |
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Editor |
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Wos |
000314682900005 |
Publication Date |
2013-02-05 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
59 |
Open Access |
|
| Notes |
; This work was supported by the ESF-Eurocores program EuroGRAPHENE (CONGRAN project) and the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| Call Number |
UA @ lucian @ c:irua:107671 |
Serial |
2645 |
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| Author |
Van Aert, S.; de Backer, A.; Martinez, G.T.; Goris, B.; Bals, S.; Van Tendeloo, G.; Rosenauer, A. |
| Title |
Procedure to count atoms with trustworthy single-atom sensitivity |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
87 |
Issue |
6 |
Pages |
064107-6 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
We report a method to reliably count the number of atoms from high-angle annular dark field scanning transmission electron microscopy images. A model-based analysis of the experimental images is used to measure scattering cross sections at the atomic level. The high sensitivity of these measurements in combination with a thorough statistical analysis enables us to count atoms with single-atom sensitivity. The validity of the results is confirmed by means of detailed image simulations. We will show that the method can be applied to nanocrystals of arbitrary shape, size, and atom type without the need for a priori knowledge about the atomic structure. |
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Thesis |
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Place of Publication |
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Editor |
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Wos |
000315144700006 |
Publication Date |
2013-02-20 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
106 |
Open Access |
|
| Notes |
FWO; 262348 ESMI; 312483 ESTEEM2;246791 COUNTATOMS; Hercules 3; esteem2_jra2 |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| Call Number |
UA @ lucian @ c:irua:105674 |
Serial |
2718 |
| Permanent link to this record |
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| Author |
Zarenia, M.; Pereira, J.M., Jr.; Peeters, F.M.; Farias, G.A. |
| Title |
Snake states in graphene quantum dots in the presence of a p-n junction |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
87 |
Issue |
3 |
Pages |
035426 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We investigate the magnetic interface states of graphene quantum dots that contain p-n junctions. Within a tight-binding approach, we consider rectangular quantum dots in the presence of a perpendicular magnetic field containing p-n as well as p-n-p and n-p-n junctions. The results show the interplay between the edge states associated with the zigzag terminations of the sample and the snake states that arise at the p-n junction due to the overlap between electron and hole states at the potential interface. Remarkable localized states are found at the crossing of the p-n junction with the zigzag edge having a dumb-bell-shaped electron distribution. The results are presented as a function of the junction parameters and the applied magnetic flux. DOI: 10.1103/PhysRevB.87.035426 |
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Thesis |
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Place of Publication |
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Editor |
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Wos |
000313941000003 |
Publication Date |
2013-01-29 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
16 |
Open Access |
|
| Notes |
; This work was supported by the Flemish Science Foundation (FWO-VI), the European Science Foundation (ESF) under the EUROCORES program EuroGRAPHENE (project CONGRAN), the Brazilian agency CNPq (Pronex), and the bilateral projects between Flanders and Brazil and the collaboration project FWO-CNPq. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| Call Number |
UA @ lucian @ c:irua:110087 |
Serial |
3048 |
| Permanent link to this record |
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| Author |
Neek-Amal, M.; Beheshtian, J.; Shayeganfar, F.; Singh, S.K.; Los, J.H.; Peeters, F.M. |
| Title |
Spiral graphone and one-sided fluorographene nanoribbons |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
87 |
Issue |
7 |
Pages |
075448-8 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The instability of a free-standing one-sided hydrogenated/fluorinated graphene nanoribbon, i.e., graphone/fluorographene, is studied using ab initio, semiempirical, and large-scale molecular dynamics simulations. Free-standing semi-infinite armchairlike hydrogenated/fluorinated graphene (AC-GH/AC-GF) and boatlike hydrogenated/fluorinated graphene (B-GH/B-GF) (nanoribbons which are periodic along the zigzag direction) are unstable and spontaneously transform into spiral structures. We find that rolled, spiral B-GH and B-GF are energetically more favorable than spiral AC-GH and AC-GF which is opposite to the double-sided flat hydrogenated/fluorinated graphene, i.e., graphane/fluorographene. We found that the packed, spiral structures exhibit an unexpected localized highest occupied molecular orbital and lowest occupied molecular orbital at the edges with increasing energy gap during rolling. These rolled hydrocarbon structures are stable beyond room temperature up to at least T = 1000 K within our simulation time of 1 ns. DOI: 10.1103/PhysRevB.87.075448 |
| 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 |
000315481800005 |
Publication Date |
2013-02-27 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
14 |
Open Access |
|
| Notes |
; We thank A. Sadeghi, M. R. Ejtehadi, and J. Amini for their useful comments. This work is supported by the ESF EuroGRAPHENE project CONGRAN and the Flemish Science Foundation (FWO-Vl). M.N.-A. is supported by a EU-Marie Curie IIF fellowship program Grant No. 299855. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| Call Number |
UA @ lucian @ c:irua:107654 |
Serial |
3106 |
| Permanent link to this record |
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| |
| Author |
Arsoski, V.V.; Tadić, M.Z.; Peeters, F.M. |
| Title |
Strain and band-mixing effects on the excitonic Aharonov-Bohm effect in In(Ga)As/GaAs ringlike quantum dots |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
87 |
Issue |
8 |
Pages |
085314-14 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Neutral excitons in strained axially symmetric In(Ga)As/GaAs quantum dots with a ringlike shape are investigated. Similar to experimental self-assembled quantum rings, the analyzed quantum dots have volcano-like shapes. The continuum mechanical model is employed to determine the strain distribution, and the single-band envelope function approach is adopted to compute the electron states. The hole states are determined by the axially symmetric multiband Luttinger-Kohn Hamiltonian, and the exciton states are obtained from an exact diagonalization. We found that the presence of the inner layer covering the ring opening enhances the excitonic Aharonov-Bohm (AB) oscillations. The reason is that the hole becomes mainly localized in the inner part of the quantum dot due to strain, whereas the electron resides mainly inside the ring-shaped rim. Interestingly, larger AB oscillations are found in the analyzed quantum dot than in a fully opened quantum ring of the same width. Comparison with the unstrained ringlike quantum dot shows that the amplitude of the excitonic Aharonov-Bohm oscillations are almost doubled in the presence of strain. The computed oscillations of the exciton energy levels are comparable in magnitude to the oscillations measured in recent experiments. DOI: 10.1103/PhysRevB.87.085314 |
| 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 |
000315278000003 |
Publication Date |
2013-02-25 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
18 |
Open Access |
|
| Notes |
; This work was supported by the EU NoE: SANDiE, the Ministry of Education, Science, and Technological Development of Serbia, and the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| Call Number |
UA @ lucian @ c:irua:107656 |
Serial |
3165 |
| Permanent link to this record |
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| |
| Author |
Turner, S.; Lebedev, O.I.; Verbeeck, J.; Gehrke, K.; Moshnyaga, V.; Van Tendeloo, G. |
| Title |
Structural phase transition and spontaneous interface reconstruction in La2/3Ca1/3MnO3/BaTiO3 superlattices |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
87 |
Issue |
3 |
Pages |
035418-8 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
(La2/3Ca1/3MnO3)n/(BaTiO3)m (LCMOn/BTOm) superlattices on MgO and SrTiO3 substrates with different layer thicknesses (n = 10, 38, 40 and m = 5, 18, 20) have been grown by metal organic aerosol deposition (MAD) and have been fully characterized down to the atomic scale to study the interface characteristics. Scanning transmission electron microscopy combined with spatially resolved electron energy-loss spectroscopy provides clear evidence for the existence of atomically sharp interfaces in MAD grown films, which exhibit epitaxial growth conditions, a uniform normal strain, and a fully oxidized state. Below a critical layer thickness the LCMO structure is found to change from the bulk Pnma symmetry to a pseudocubic R3̅ c symmetry. An atomically flat interface reconstruction consisting of a single Ca-rich atomic layer is observed on the compressively strained BTO on LCMO interface, which is thought to partially neutralize the total charge from the alternating polar atomic layers in LCMO as well as relieving strain at the interface. No interface reconstruction is observed at the tensile strained LCMO on BTO interface. |
| 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 |
000313940400008 |
Publication Date |
2013-01-23 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
12 |
Open Access |
|
| Notes |
FWO; Hercules; Countatoms |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| Call Number |
UA @ lucian @ c:irua:106180 |
Serial |
3245 |
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| |
| Author |
Berdiyorov, G.R.; Savel'ev, S.E.; Milošević, M.V.; Kusmartsev, F.V.; Peeters, F.M. |
| Title |
Synchronized dynamics of Josephson vortices in artificial stacks of SNS Josephson junctions under both dc and ac bias currents |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
87 |
Issue |
18 |
Pages |
184510-184519 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Nonlinear dynamics of Josephson vortices (fluxons) in artificial stacks of superconducting-normal-superconducting Josephson junctions under simultaneously applied time-periodic ac and constant biasing dc currents is studied using the time dependent Ginzburg-Landau formalism with a Lawrence-Doniach extension. At zero external magnetic field and dc biasing current the resistive state of the system is characterized by periodic nucleation and annihilation of fluxon-antifluxon pairs, relative positions of which are determined by the state of neighboring junctions. Due to the mutual repulsive interaction, fluxons in different junctions move out of phase. Their collective motion can be synchronized by adding a small ac component to the biasing dc current. Coherent motion of fluxons is observed for a broad frequency range of the applied drive. In the coherent state the maximal output voltage, which is proportional to the number of junctions in the stack, is observed near the characteristic frequency of the system determined by the crossing of the fluxons across the sample. However, in this frequency range the dynamically synchronized state has an alternative-a less ordered state with smaller amplitude of the output voltage. Collective behavior of the junctions is strongly affected by the sloped sidewalls of the stack. Synchronization is observed only for weakly trapezoidal cross sections, whereas irregular motion of fluxons is observed for larger slopes of the sample edge. |
| 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 |
000319653400007 |
Publication Date |
2013-05-28 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
10 |
Open Access |
|
| Notes |
; This work was supported by the Flemish Science Foundation (FWO-VI) and by EU Marie Curie (Project No. 253057). ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| Call Number |
UA @ lucian @ c:irua:109643 |
Serial |
3406 |
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| |
| Author |
Singh, S.K.; Srinivasan, S.G.; Neek-Amal, M.; Costamagna, S.; van Duin, A.C.T.; Peeters, F.M. |
| Title |
Thermal properties of fluorinated graphene |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
87 |
Issue |
10 |
Pages |
104114-104116 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Large-scale atomistic simulations using the reactive force field approach are implemented to investigate the thermomechanical properties of fluorinated graphene (FG). A set of parameters for the reactive force field potential optimized to reproduce key quantum mechanical properties of relevant carbon-fluorine cluster systems are presented. Molecular dynamics simulations are used to investigate the thermal rippling behavior of FG and its mechanical properties and compare them with graphene, graphane and a sheet of boron nitride. The mean square value of the height fluctuations < h(2)> and the height-height correlation function H(q) for different system sizes and temperatures show that FG is an unrippled system in contrast to the thermal rippling behavior of graphene. The effective Young's modulus of a flake of fluorinated graphene is obtained to be 273 N/m and 250 N/m for a flake of FG under uniaxial strain along armchair and zigzag directions, respectively. DOI: 10.1103/PhysRevB.87.104114 |
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Thesis |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000316933500002 |
Publication Date |
2013-03-29 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
80 |
Open Access |
|
| Notes |
; M.N.-A. is supported by the EU-Marie Curie IIF postdoc Fellowship/299855. This work is supported by the ESF-Eurographene project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem Foundation of the Flemish Government. S. G. S. and A.C.T.vD. acknowledge support by the Air Force Office of Scientific Research (AFOSR) under Grant No. FA9550-10-1-0563. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| Call Number |
UA @ lucian @ c:irua:108495 |
Serial |
3629 |
| Permanent link to this record |
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| |
| Author |
Singh, S.K.; Neek-Amal, M.; Costamagna, S.; Peeters, F.M. |
| Title |
Thermomechanical properties of a single hexagonal boron nitride sheet |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
87 |
Issue |
18 |
Pages |
184106-184107 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Using atomistic simulations we investigate the thermodynamical properties of a single atomic layer of hexagonal boron nitride (h-BN). The thermal induced ripples, heat capacity, and thermal lattice expansion of large scale h-BN sheets are determined and compared to those found for graphene (GE) for temperatures up to 1000 K. By analyzing the mean-square height fluctuations < h(2)> and the height-height correlation function H(q) we found that the h-BN sheet is a less stiff material as compared to graphene. The bending rigidity of h-BN (i) is about 16% smaller than the one of GE at room temperature (300 K), and (ii) increases with temperature as in GE. The difference in stiffness between h-BN and GE results in unequal responses to external uniaxial and shear stress and different buckling transitions. In contrast to a GE sheet, the buckling transition of a h-BN sheet depends strongly on the direction of the applied compression. The molar heat capacity, thermal-expansion coefficient, and Gruneisen parameter are estimated to be 25.2 J mol(-1) K-1, 7.2 x 10(-6) K-1, and 0.89, respectively. |
| 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 |
000318653800001 |
Publication Date |
2013-05-08 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
80 |
Open Access |
|
| Notes |
; We thank K. H. Michel and D. A. Kirilenko for their useful comments on the manuscript. M. N.-A. was supported by EU-Marie Curie IIF Postdoctorate Fellowship No. 299855. S. Costamagna was supported by the Belgian Science Foundation (BELSPO). This work was supported by the ESF-EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem program of the Flemish Government. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| Call Number |
UA @ lucian @ c:irua:109010 |
Serial |
3638 |
| Permanent link to this record |
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| |
| Author |
Muñoz, W.A.; Covaci, L.; Peeters, F.M. |
| Title |
Tight-binding description of intrinsic superconducting correlations in multilayer graphene |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
87 |
Issue |
13 |
Pages |
134509-7 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Using highly efficient GPU-based simulations of the tight-binding Bogoliubov-de Gennes equations we solve self-consistently for the pair correlation in rhombohedral (ABC) and Bernal (ABA) multilayer graphene by considering a finite intrinsic s-wave pairing potential. We find that the two different stacking configurations have opposite bulk/surface behavior for the order parameter. Surface superconductivity is robust for ABC stacked multilayer graphene even at very low pairing potentials for which the bulk order parameter vanishes, in agreement with a recent analytical approach. In contrast, for Bernal stacked multilayer graphene, we find that the order parameter is always suppressed at the surface and that there exists a critical value for the pairing potential below which no superconducting order is achieved. We considered different doping scenarios and find that homogeneous doping strongly suppresses surface superconductivity while nonhomogeneous field-induced doping has a much weaker effect on the superconducting order parameter. For multilayer structures with hybrid stacking (ABC and ABA) we find that when the thickness of each region is small (few layers), high-temperature surface superconductivity survives throughout the bulk due to the proximity effect between ABC/ABA interfaces where the order parameter is enhanced. DOI: 10.1103/PhysRevB.87.134509 |
| 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 |
000317390000006 |
Publication Date |
2013-04-11 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
37 |
Open Access |
|
| Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem funding of the Flemish Government. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| Call Number |
UA @ lucian @ c:irua:108469 |
Serial |
3660 |
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| Author |
Govaerts, K.; Saniz, R.; Partoens, B.; Lamoen, D. |
| Title |
van der Waals bonding and the quasiparticle band structure of SnO from first principles |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
87 |
Issue |
23 |
Pages |
235210-235217 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
| Abstract |
In this work we have investigated the structural and electronic properties of SnO, which is built up from layers kept together by van der Waals (vdW) forces. The combination of a vdW functional within density functional theory (DFT) and quasiparticle band structure calculations within the GW approximation provides accurate values for the lattice parameters, atomic positions, and the electronic band structure including the fundamental (indirect) and the optical (direct) band gap without the need of experimental or empirical input. A systematic comparison is made between different levels of self-consistency within the GW approach {following the scheme of Shishkin et al. [Phys. Rev. B 75, 235102 (2007)]} and the results are compared with DFT and hybrid functional results. Furthermore, the effect of the vdW-corrected functional as a starting point for the GW calculation of the band gap has been investigated. Finally, we studied the effect of the vdW functional on the electron charge density. |
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Thesis |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000321061000003 |
Publication Date |
2013-07-01 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
50 |
Open Access |
|
| Notes |
IWT; FWO; Hercules |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| Call Number |
UA @ lucian @ c:irua:109596 |
Serial |
3835 |
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| Author |
Čukarić, N.A.; Tadić, M.Z.; Partoens, B.; Peeters, F.M. |
| Title |
30-band k\cdot p model of electron and hole states in silicon quantum wells |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
88 |
Issue |
20 |
Pages |
205306 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We modeled the electron and hole states in Si/SiO2 quantum wells within a basis of standing waves using the 30-band k . p theory. The hard-wall confinement potential is assumed, and the influence of the peculiar band structure of bulk silicon on the quantum-well sub-bands is explored. Numerous spurious solutions in the conduction-band and valence-band energy spectra are found and are identified to be of two types: (1) spurious states which have large contributions of the bulk solutions with large wave vectors (the high-k spurious solutions) and (2) states which originate mainly from the spurious valley outside the Brillouin zone (the extravalley spurious solutions). An algorithm to remove all those nonphysical solutions from the electron and hole energy spectra is proposed. Furthermore, slow and oscillatory convergence of the hole energy levels with the number of basis functions is found and is explained by the peculiar band mixing and the confinement in the considered quantum well. We discovered that assuming the hard-wall potential leads to numerical instability of the hole states computation. Nonetheless, allowing the envelope functions to exponentially decay in a barrier of finite height is found to improve the accuracy of the computed hole states. |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000327161500007 |
Publication Date |
2013-11-20 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
10 |
Open Access |
|
| Notes |
; This work was supported by the Ministry of Education, Science, and Technological Development of Serbia, the Belgian Science Policy (IAP), the Flemish fund for Scientific Research (FWO-Vl), and the Methusalem programme of the Flemish government. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| Call Number |
UA @ lucian @ c:irua:112704 |
Serial |
18 |
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| Author |
de Sousa, A.A.; Chaves, A.; Farias, G.A.; Peeters, F.M. |
| Title |
Braess paradox at the mesoscopic scale |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
88 |
Issue |
24 |
Pages |
245417-6 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We theoretically demonstrate that the transport inefficiency recently found experimentally for branched-out mesoscopic networks can also be observed in a quantum ring of finite width with an attached central horizontal branch. This is done by investigating the time evolution of an electron wave packet in such a system. Our numerical results show that the conductivity of the ring does not necessary improve if one adds an extra channel. This ensures that there exists a quantum analog of the Braess paradox, originating from quantum scattering and interference. |
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Place of Publication |
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Editor |
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Wos |
000328680500011 |
Publication Date |
2013-12-17 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
17 |
Open Access |
|
| Notes |
; This work was financially supported by PRONEX/CNPq/FUNCAP and the bilateral project CNPq-FWO. Discussions with J. S. Andrade, Jr. are gratefully acknowledged. A. A. S. has been financially supported by CAPES, under PDSE Contract No. BEX 7177/13-5. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| Call Number |
UA @ lucian @ c:irua:113705 |
Serial |
253 |
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| Author |
Shakouri, K.; Masir, M.R.; Jellal, A.; Choubabi, E.B.; Peeters, F.M. |
| Title |
Effect of spin-orbit couplings in graphene with and without potential modulation |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
88 |
Issue |
11 |
Pages |
115408-115409 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We investigate the effect of Rashba and intrinsic spin-orbit couplings on the electronic properties and spin configurations of Dirac fermions confined in: (i) a flat graphene sheet, (ii) a graphene wire with p-n-p structure, and (iii) a superlattice of graphene wires. The interplay between the spin-orbit interaction mechanisms breaks the electron-hole symmetry and the spin configuration induced by Rashba spin-orbit coupling lacks inversion symmetry in k space. We show that the Rashba spin-orbit interaction doubles the Fabry-Perot resonant modes in the transmission spectrum of a graphene wire and opens new channels for the electron transmission. Moreover, it leads to the appearance of spin split extra Dirac cones in the energy spectrum of a graphene superlattice. It is shown that the spin of the electrons and holes confined in a flat graphene sheet is always perpendicular to their motion while this is not the case for the other nanostructures. |
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Place of Publication |
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Editor |
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Wos |
000323944600005 |
Publication Date |
2013-09-05 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
36 |
Open Access |
|
| Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN. The generous support provided by the Saudi Center for Theoretical Physics (SCTP) is highly appreciated by A.J. and E.B.C. They also thank the Deanship of Scientific Research at King Faisal University for funding this work under the Project No. 130193. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| Call Number |
UA @ lucian @ c:irua:110716 |
Serial |
836 |
| Permanent link to this record |
| |
|
| |
| Author |
Zarenia, M.; Partoens, B.; Chakraborty, T.; Peeters, F.M. |
| Title |
Electron-electron interactions in bilayer graphene quantum dots |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
88 |
Issue |
24 |
Pages |
245432-245435 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
A parabolic quantum dot (QD) as realized by biasing nanostructured gates on bilayer graphene is investigated in the presence of electron-electron interaction. The energy spectrum and the phase diagram reveal unexpected transitions as a function of a magnetic field. For example, in contrast to semiconductor QDs, we find a valley transition rather than only the usual singlet-triplet transition in the ground state of the interacting system. The origin of these features can be traced to the valley degree of freedom in bilayer graphene. These transitions have important consequences for cyclotron resonance experiments. |
| 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 |
|
| Language |
|
Wos |
000328688600010 |
Publication Date |
2014-01-09 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
29 |
Open Access |
|
| Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES program EuroGRAPHENE (project CONGRAN), and the Methusalem foundation of the Flemish Government. T. C. is supported by the Canada Research Chairs program of the Government of Canada. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| Call Number |
UA @ lucian @ c:irua:113698 |
Serial |
926 |
| Permanent link to this record |
| |
|
| |
| Author |
Moldovan, D.; Masir, M.R.; Peeters, F.M. |
| Title |
Electronic states in a graphene flake strained by a Gaussian bump |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
88 |
Issue |
3 |
Pages |
035446-35447 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The effect of strain in graphene is usually modeled by a pseudomagnetic vector potential which is, however, derived in the limit of small strain. In realistic cases deviations are expected in view of graphene's very high strain tolerance, which can be up to 25%. Here we investigate the pseudomagnetic field generated by a Gaussian bump and we show that it exhibits significant differences with numerical tight-binding results. Furthermore, we calculate the electronic states in the strained region for a hexagon shaped flake with armchair edges. We find that the sixfold symmetry of the wave functions inside the Gaussian bump is directly related to the different effects of strain along the fundamental directions of graphene: zigzag and armchair. Low energy electrons are strongly confined in the armchair directions and are localized on the carbon atoms of a single sublattice. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000322587500003 |
Publication Date |
2013-07-30 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
50 |
Open Access |
|
| Notes |
; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem Funding of the Flemish Government. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| Call Number |
UA @ lucian @ c:irua:109800 |
Serial |
1007 |
| Permanent link to this record |
| |
|
| |
| Author |
Neek-Amal, M.; Covaci, L.; Shakouri, K.; Peeters, F.M. |
| Title |
Electronic structure of a hexagonal graphene flake subjected to triaxial stress |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
88 |
Issue |
11 |
Pages |
115428 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The electronic properties of a triaxially strained hexagonal graphene flake with either armchair or zigzag edges are investigated using molecular dynamics simulations and tight-binding calculations. We found that (i) the pseudomagnetic field in strained graphene flakes is not uniform neither in the center nor at the edge of zigzag terminated flakes, (ii) the pseudomagnetic field is almost zero in the center of armchair terminated flakes but increases dramatically near the edges, (iii) the pseudomagnetic field increases linearly with strain, for strains lower than 15% but increases nonlinearly beyond it, (iv) the local density of states in the center of the zigzag hexagon exhibits pseudo-Landau levels with broken sublattice symmetry in the zeroth pseudo-Landau level, and in addition there is a shift in the Dirac cone due to strain induced scalar potentials, and (v) there is size effect in pseudomagnetic field. This study provides a realistic model of the electronic properties of inhomogeneously strained graphene where the relaxation of the atomic positions is correctly included together with strain induced modifications of the hopping terms up to next-nearest neighbors. |
| 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 |
|
| Language |
|
Wos |
000324690400008 |
Publication Date |
2013-09-24 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
46 |
Open Access |
|
| Notes |
; This work was supported by the EU-Marie Curie IIF postdoctoral Fellowship/ 299855 (for M.N.-A.), the ESF EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-Vl) and the Methusalem Funding of the Flemish government. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| Call Number |
UA @ lucian @ c:irua:111168 |
Serial |
1011 |
| Permanent link to this record |
| |
|
| |
| Author |
Krstajie, P.M.; Peeters, F.M. |
| Title |
Energy-momentum dispersion relation of plasmarons in bilayer graphene |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
88 |
Issue |
16 |
Pages |
165420-165424 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The relation between the energy and momentum of plasmarons in bilayer graphene is investigated within the Overhauser approach, where the electron-plasmon interaction is described as a field theoretical problem. We find that the Dirac-like spectrum is shifted by Delta E(k) similar to 100 divided by 150 meV depending on the electron concentration n(e) and electron momentum. The shift increases with electron concentration as the energy of plasmons becomes larger. The dispersion of plasmarons is more pronounced than in the case of single layer graphene, which is explained by the fact that the energy dispersion of electrons is quadratic and not linear. We expect that these predictions can be verified using angle-resolved photoemission spectroscopy (ARPES). |
| 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 |
|
Wos |
000326089400004 |
Publication Date |
2013-10-22 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
3 |
Open Access |
|
| Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), the ESF-EuroGRAPHENE project CON-GRAN, and by the Serbian Ministry of Education and Science, within the Project No. TR 32008. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| Call Number |
UA @ lucian @ c:irua:112224 |
Serial |
1042 |
| Permanent link to this record |
| |
|
| |
| Author |
Dixit, H.; Tandon, N.; Cottenier, S.; Saniz, R.; Lamoen, D.; Partoens, B. |
| Title |
Erratum : First-principles study of possible shallow donors in ZnAl2O4 spinel [Phys. Rev. B 87, 174101 (2013)] |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
88 |
Issue |
5 |
Pages |
059905-2 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000323572600009 |
Publication Date |
2013-08-27 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
1 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| Call Number |
UA @ lucian @ c:irua:110015 |
Serial |
1080 |
| Permanent link to this record |
| |
|
| |
| Author |
Leenaerts, O.; Sahin, H.; Partoens, B.; Peeters, F.M. |
| Title |
First-principles investigation of B- and N-doped fluorographene |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
88 |
Issue |
3 |
Pages |
035434-35435 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The effect of substitutional doping of fluorographene with boron and nitrogen atoms on its electronic and magnetic properties is investigated using first-principles calculations. It is found that boron dopants can be readily incorporated in the fluorographene crystal where they act as shallow acceptors and cause hole doping, but no changes in the magnetic properties are observed. Nitrogen dopants act as deep donors and give rise to a magnetic moment, but the resulting system becomes chemically unstable. These results are opposite to what was found for substitutional doping of graphane, i.e., hydrogenated graphene, in which case B substituents induce magnetism and N dopants do not. |
| 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 |
000322083700002 |
Publication Date |
2013-07-22 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
16 |
Open Access |
|
| Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program of the Flemish government. H.S. is supported by a FWO Pegasus-long Marie Curie Fellowship. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| Call Number |
UA @ lucian @ c:irua:109807 |
Serial |
1210 |
| Permanent link to this record |
| |
|
| |
| Author |
Hai, G.-Q.; Peeters, F.M. |
| Title |
Hamiltonian of a many-electron system with single-electron and electron-pair states in a two-dimensional periodic potential |
Type |
A1 Journal article |
| Year |
2015 |
Publication |
European physical journal : B : condensed matter and complex systems |
Abbreviated Journal |
Eur Phys J B |
| Volume |
88 |
Issue |
88 |
Pages |
20 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Based on the metastable electron-pair energy band in a two-dimensional (2D) periodic potential obtained previously by Hai and Castelano [J. Phys.: Condens. Matter 26, 115502 (2014)], we present in this work a Hamiltonian of many electrons consisting of single electrons and electron pairs in the 2D system. The electron-pair states are metastable of energies higher than those of the single-electron states at low electron density. We assume two different scenarios for the single-electron band. When it is considered as the lowest conduction band of a crystal, we compare the obtained Hamiltonian with the phenomenological model Hamiltonian of a boson-fermion mixture proposed by Friedberg and Lee [Phys. Rev. B 40, 6745 (1989)]. Single-electron-electron-pair and electron-pair-electron-pair interaction terms appear in our Hamiltonian and the interaction potentials can be determined from the electron-electron Coulomb interactions. When we consider the single-electron band as the highest valence band of a crystal, we show that holes in this valence band are important for stabilization of the electron-pair states in the system. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Berlin |
Editor |
|
| Language |
|
Wos |
000347776800005 |
Publication Date |
2015-01-10 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1434-6028;1434-6036; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.461 |
Times cited |
2 |
Open Access |
|
| Notes |
; This work was supported by FAPESP and CNPq (Brazil). ; |
Approved |
Most recent IF: 1.461; 2015 IF: 1.345 |
| Call Number |
c:irua:125317 |
Serial |
1406 |
| Permanent link to this record |
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| |
| Author |
Shakouri, K.; Badalyan, S.M.; Peeters, F.M. |
| Title |
Helical liquid of snake states |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
88 |
Issue |
19 |
Pages |
195404-195405 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We derive an exact solution to the problem of spin snake states induced in a nonhomogeneous magnetic field by a combined action of the Rashba spin-orbit and Zeeman fields. The electron spin behavior as a function of the cyclotron orbit center position and an external homogeneous magnetic field was obtained. It is shown that in an antisymmetric magnetic field the electron spin in the snake states has only an in-plane projection, perpendicular to the magnetic interface, which vanishes at large positive momenta. Applying an external homogeneous magnetic field adds a finite out-of-plane spin component and simultaneously gaps out the spectral branches, which results in regular beating patterns of the spin current components. |
| 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 |
000326820200007 |
Publication Date |
2013-11-07 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
3 |
Open Access |
|
| Notes |
; This work was supported by the Methusalem program of the Flemish government and the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| Call Number |
UA @ lucian @ c:irua:112712 |
Serial |
1416 |
| Permanent link to this record |
