Records |
Author |
da Costa, D.R.; Chaves, A.; Farias, G.A.; Covaci, L.; Peeters, F.M. |
Title |
Wave-packet scattering on graphene edges in the presence of a pseudomagnetic field |
Type |
A1 Journal article |
Year |
2012 |
Publication ![sorted by Publication field, ascending order (up)](img/sort_asc.gif) |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
86 |
Issue |
11 |
Pages |
115434 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The scattering of a Gaussian wave packet in armchair and zigzag graphene edges is theoretically investigated by numerically solving the time-dependent Schrodinger equation for the tight-binding model Hamiltonian. Our theory allows us to investigate scattering in reciprocal space, and depending on the type of graphene edge we observe scattering within the same valley, or between different valleys. In the presence of an external magnetic field, the well-known skipping orbits are observed. However, our results demonstrate that in the case of a pseudomagnetic field, induced by nonuniform strain, the scattering by an armchair edge results in a nonpropagating edge state. |
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 |
000309174100005 |
Publication Date |
2012-09-21 |
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 |
28 |
Open Access |
|
Notes |
; Discussions with E. B. Barros are gratefully acknowledged. This work was supported by the Brazilian Council for Research (CNPq), the Flemish Science Foundation (FWO-Vl), the ESF-EuroGRAPHENE (project CONGRAN), and the bilateral program between Flanders and Brazil. ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:101833 |
Serial |
3907 |
Permanent link to this record |
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Author |
Mayrock, O.; Wünsche, H.-J.; Henneberger, F.; Riva, C.; Schweigert, V.A.; Peeters, F.M. |
Title |
Weakly localized biexcitons in quantum wells |
Type |
A1 Journal article |
Year |
1999 |
Publication ![sorted by Publication field, ascending order (up)](img/sort_asc.gif) |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
60 |
Issue |
|
Pages |
5582-5589 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000082478600068 |
Publication Date |
2002-07-27 |
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 |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
17 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 1999 IF: NA |
Call Number |
UA @ lucian @ c:irua:27009 |
Serial |
3912 |
Permanent link to this record |
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Author |
Carvalho, J.C.N.; Ferreira, W.P.; Farias, G.A.; Peeters, F.M. |
Title |
Yukawa particles confined in a channel and subject to a periodic potential : ground state and normal modes |
Type |
A1 Journal article |
Year |
2011 |
Publication ![sorted by Publication field, ascending order (up)](img/sort_asc.gif) |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
83 |
Issue |
9 |
Pages |
094109-094109,12 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We consider a classical system of two-dimensional (2D) charged particles, interacting through a repulsive Yukawa potential exp(-r/λ)/r, and confined in a parabolic channel that limits the motion of the particles in the y direction. Along the x direction, the particles are subject to a periodic potential. The ground-state configurations and the normal-mode spectra of the system are obtained as a function of the periodicity and strength of the periodic potential (V0) and density. An interesting set of tunable ground-state configurations are found, with first- or second-order structural transitions between them. A configuration with particles aligned, perpendicular to the x direction, in each minimum of the periodic potential is obtained for V0 larger than some critical value that has a power-law dependence on the density. The phonon spectrum of different configurations was also calculated. A localization of the modes into a small frequency interval is observed for sufficiently large strength of the periodic potential, and a tunable gap in the phonon spectrum is found as a function of V0. |
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 |
000288119700001 |
Publication Date |
2011-03-08 |
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 |
|
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 Brazilian agencies CNPq and FUNCAP (PRONEX-Grant), and the bilateral projects between Flanders and Brazil and the Flemish Science Foundation (FWO-VI) and CNPq. ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
Call Number |
UA @ lucian @ c:irua:88779 |
Serial |
3928 |
Permanent link to this record |
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Author |
Aierken, Y.; Leenaerts, O.; Peeters, F.M. |
Title |
Defect-induced faceted blue phosphorene nanotubes |
Type |
A1 Journal article |
Year |
2015 |
Publication ![sorted by Publication field, ascending order (up)](img/sort_asc.gif) |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
104104 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The properties of a new class of phosphorene nanotubes (PNT) are investigated by performing first-principles calculations. We demonstrate that it is advantageous to use blue phosphorene in order to make small nanotubes and propose a way to create low-energy PNTs by the inclusion of defect lines. Five different types of defect lines are investigated and incorporated in various combinations. The resulting defect-induced faceted PNTs have negligible bending stresses which leads to a reduction in the formation energy with respect to round PNTs. Our armchair faceted PNTs have similar formation energies than the recently proposed multiphase faceted PNTs, but they have a larger variety of possible structures. Our zigzag faceted PNTs have lower formation energies than round tubes and multiphase faceted nanotubes. The electronic properties of the defect-induced faceted PNTs are determined by the defect lines which control the band gap and the shape of the electronic states at the band edges. These band gaps increase with the radius of the nanotubes and converge to those of isolated defect lines. |
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 |
000361037200006 |
Publication Date |
2015-09-12 |
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 |
|
ISSN |
1098-0121 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
24 |
Open Access |
|
Notes |
This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl). The computational resources and ser- vices used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government, department EWI. |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
c:irua:127837 |
Serial |
4033 |
Permanent link to this record |
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Author |
Aierken, Y.; Çakır, D.; Sevik, C.; Peeters, F.M. |
Title |
Thermal properties of black and blue phosphorenes from a first-principles quasiharmonic approach |
Type |
A1 Journal article |
Year |
2015 |
Publication ![sorted by Publication field, ascending order (up)](img/sort_asc.gif) |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
081408 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Different allotropes of phosphorene are possible of which black and blue phosphorus are the most stable. While blue phosphorus has isotropic properties, black phosphorus is strongly anisotropic in its electronic and optical properties due to its anisotropic crystal structure. In this work, we systematically investigated the lattice thermal properties of black and blue phosphorene by using first-principles calculations based on the quasiharmonic approximation approach. Similar to the optoelectronic and electronic properties, we predict that black phosphorene has highly anisotropic thermal properties, in contrast to the blue phase. The linear thermal expansion coefficients along the zigzag and armchair direction differ up to 20% in black phosphorene. The armchair direction of black phosphorene is more expandable as compared to the zigzag direction and the biaxial expansion of blue phosphorene under finite temperature. Our comparative analysis reveals that the inclusion of finite-temperature effects makes the blue phase thermodynamically more stable over the black phase above 135 K. |
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 |
000359860700005 |
Publication Date |
2015-08-19 |
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 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
124 |
Open Access |
|
Notes |
This work was supported by the Flemish Science Founda- tion (FWO-Vl) and the Methusalem foundation of the Flem- ish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Comput- ing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. C.S. acknowledges the support from Anadolu University (BAP-1407F335), and Turkish Academy of Sciences (TUBA-GEBIP). |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
c:irua:127754 |
Serial |
4034 |
Permanent link to this record |
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Author |
Mulkers, J.; Milošević, M.V.; Van Waeyenberge, B. |
Title |
Cycloidal versus skyrmionic states in mesoscopic chiral magnets |
Type |
A1 Journal article |
Year |
2016 |
Publication ![sorted by Publication field, ascending order (up)](img/sort_asc.gif) |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
93 |
Issue |
93 |
Pages |
214405 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
When subjected to the interfacially induced Dzyaloshinskii-Moriya interaction, the ground state in thin ferromagnetic films with high perpendicular anisotropy is cycloidal. The period of this cycloidal state depends on the strength of the Dzyaloshinskii-Moriya interaction. In this work, we have studied the effect of confinement on the magnetic ground state and excited states, and we determined the phase diagram of thin strips and thin square platelets by means of micromagnetic calculations. We show that multiple cycloidal states with different periods can be stable in laterally confined films, where the period of the cycloids does not depend solely on the Dzyaloshinskii-Moriya interaction strength but also on the dimensions of the film. The more complex states comprising skyrmions are also found to be stable, though with higher energy. |
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 |
000377298600006 |
Publication Date |
2016-06-06 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9950 |
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 |
; ; |
Approved |
Most recent IF: 3.836 |
Call Number |
c:irua:133919 |
Serial |
4081 |
Permanent link to this record |
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Author |
Sobrino Fernandez, M.M.; Neek-Amal, M.; Peeters, F.M. |
Title |
AA-stacked bilayer square ice between graphene layers |
Type |
A1 Journal article |
Year |
2015 |
Publication ![sorted by Publication field, ascending order (up)](img/sort_asc.gif) |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
245428 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Water confined between two graphene layers with a separation of a few A forms a layered two-dimensional ice structure. Using large scale molecular dynamics simulations with the adoptable ReaxFF interatomic potential we found that flat monolayer ice with a rhombic-square structure nucleates between the graphene layers which is nonpolar and nonferroelectric. We provide different energetic considerations and H-bonding results that explain the interlayer and intralayer properties of two-dimensional ice. The controversial AA stacking found experimentally [Algara-Siller et al., Nature (London) 519, 443 (2015)] is consistent with our minimum-energy crystal structure of bilayer ice. Furthermore, we predict that an odd number of layers of ice has the same lattice structure as monolayer ice, while an even number of ice layers exhibits the square ice AA stacking of bilayer ice. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000366731800004 |
Publication Date |
2015-12-17 |
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 |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
40 |
Open Access |
|
Notes |
; This work was supported by the ESF-Eurographene project CONGRAN, and the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
c:irua:130203 |
Serial |
4127 |
Permanent link to this record |
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Author |
Chaves, A.; Low, T.; Avouris, P.; Çakir, D.; Peeters, F.M. |
Title |
Anisotropic exciton Stark shift in black phosphorus |
Type |
A1 Journal article |
Year |
2015 |
Publication ![sorted by Publication field, ascending order (up)](img/sort_asc.gif) |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
91 |
Issue |
91 |
Pages |
155311 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We calculate the excitonic spectrum of few-layer black phosphorus by direct diagonalization of the effective mass Hamiltonian in the presence of an applied in-plane electric field. The strong attractive interaction between electrons and holes in this system allows one to investigate the Stark effect up to very high ionizing fields, including also the excited states. Our results show that the band anisotropy in black phosphorus becomes evident in the direction-dependent field-induced polarizability of the exciton. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000353459200005 |
Publication Date |
2015-04-27 |
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 |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
88 |
Open Access |
|
Notes |
; Discussions with J. M. Pereira Jr. and J. S. de Souza are gratefully acknowledged. This work was supported by the Brazilian Council for Research (CNPq) through the PQ and Science Without Borders programs, the Flemish Science Foundation (FWO-Vl), the Methusalem programme of the Flemish government, and the Bilateral program (CNPq-FWO) between Flanders and Brazil. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:132506 |
Serial |
4141 |
Permanent link to this record |
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Author |
Galvan-Moya; Misko, V.R.; Peeters, F.M. |
Title |
Chainlike transitions in Wigner crystals : sequential versus nonsequential |
Type |
A1 Journal article |
Year |
2015 |
Publication ![sorted by Publication field, ascending order (up)](img/sort_asc.gif) |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
064112 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The structural transitions of the ground state of a system of repulsively interacting particles confined in a quasi-one-dimensional channel, and the effect of the interparticle interaction as well as the functional form of the confinement potential on those transitions are investigated. Although the nonsequential ordering of transitions (non-SOT), i.e., the 1 – 2 – 4 – 3 – 4 – 5 – 6 – ... sequence of chain configurations with increasing density, is widely robust as predicted in a number of theoretical studies, the sequential ordering of transitions (SOT), i.e., the 1 – 2 – 3 – 4 – 5 – 6 – ... chain, is found as the ground state for long-ranged interparticle interaction and hard-wall-like confinement potentials. We found an energy barrier between every two different phases around its transition point, which plays an important role in the preference of the system to follow either a SOT or a non-SOT. However, that preferential transition requires also the stability of the phases during the transition. Additionally, we analyze the effect of a small structural disorder on the transition between the two phases around its transition point. Our results show that a small deformation of the triangular structure changes dramatically the picture of the transition between two phases, removing in a considerable region the non-SOT in the system. This feature could explain the fact that the non-SOT is, up to now, not observed in experimental systems, and suggests a more advanced experimental setup to detect the non-SOT. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000359859400003 |
Publication Date |
2015-08-21 |
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 |
3 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Odysseus and Methusalem programmes of the Flemish government. Computational resources were provided by HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC). ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:127753 |
Serial |
4148 |
Permanent link to this record |
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Author |
Sadeghi, A.; Neek-Amal, M.; Berdiyorov, G.R.; Peeters, F.M. |
Title |
Diffusion of fluorine on and between graphene layers |
Type |
A1 Journal article |
Year |
2015 |
Publication ![sorted by Publication field, ascending order (up)](img/sort_asc.gif) |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
91 |
Issue |
91 |
Pages |
014304 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Using first-principles calculations and reactive force field molecular dynamics simulations, we study the structural properties and dynamics of a fluorine (F) atom, either adsorbed on the surface of single layer graphene (F/GE) or between the layers of AB stacked bilayer graphene (F@ bilayer graphene). It is found that the diffusion of the F atom is very different in those cases, and that the mobility of the F atom increases by about an order of magnitude when inserted between two graphene layers. The obtained diffusion constant for F/GE is twice larger than that experimentally found for gold adatom and theoretically found for C-60 molecule on graphene. Our study provides important physical insights into the dynamics of fluorine atoms between and on graphene layers and explains the mechanism behind the separation of graphite layers due to intercalation of F atoms. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000349125800002 |
Publication Date |
2015-01-08 |
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 |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
15 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-VI) and the Methusalem Foundation of the Flemish Government. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:132561 |
Serial |
4161 |
Permanent link to this record |
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Author |
Bakalov, P.; Esfahani, D.N.; Covaci, L.; Peeters, F.M.; Tempere, J.; Locquet, J.-P. |
Title |
Electric-field-driven Mott metal-insulator transition in correlated thin films : an inhomogeneous dynamical mean-field theory approach |
Type |
A1 Journal article |
Year |
2016 |
Publication ![sorted by Publication field, ascending order (up)](img/sort_asc.gif) |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
93 |
Issue |
93 |
Pages |
165112 |
Keywords |
A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT) |
Abstract |
Simulations are carried out based on the dynamical mean-field theory (DMFT) in order to investigate the properties of correlated thin films for various values of the chemical potential, temperature, interaction strength, and applied transverse electric field. Application of a sufficiently strong field to a thin film at half filling leads to the appearance of conducting regions near the surfaces of the film, whereas in doped slabs the application of a field leads to a conductivity enhancement on one side of the film and a gradual transition to the insulating state on the opposite side. In addition to the inhomogeneous DMFT, a local density approximation (LDA) is considered in which the particle density n, quasiparticle residue Z, and spectral weight at the Fermi level A(ω=0) of each layer are approximated by a homogeneous bulk environment. A systematic comparison between the two approaches reveals that the less expensive LDA results are in good agreement with the DMFT approach, except close to the metal-to-insulator transition points and in the layers immediately at the film surfaces. LDA values for n are overall more reliable than those for Z and A(ω=0). The hysteretic behavior (memory effect) characteristic of the bulk doping driven Mott transition persists in the slab. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000373572700002 |
Publication Date |
2016-04-09 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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 |
5 |
Open Access |
|
Notes |
; This work was partially funded by the Flemish Fund for Scientific Research (FWO Belgium) under FWO Grant No. G.0520.10 and the joint FWF (Austria)-FWO Grant No. GOG6616N, and by the SITOGA FP7 project. Most of the calculations were performed on KU Leuven's ThinKing HPC cluster provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government-department EWI. ; |
Approved |
Most recent IF: 3.836 |
Call Number |
UA @ lucian @ c:irua:132872 |
Serial |
4167 |
Permanent link to this record |
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Author |
Pavlović, S.; Peeters, F.M. |
Title |
Electronic properties of triangular and hexagonal MoS2 quantum dots |
Type |
A1 Journal article |
Year |
2015 |
Publication ![sorted by Publication field, ascending order (up)](img/sort_asc.gif) |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
91 |
Issue |
91 |
Pages |
155410 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Using the tight-binding approach, we calculate the electronic structure of triangular and hexagonal MoS2 quantum dots. Due to the orbital asymmetry we show that it is possible to form quantum dots with the same shape but having different electronic properties. The electronic states of triangular and hexagonal quantum dots are explored, as well as the local and total density of states and the convergence towards the bulk spectrum with dot size is investigated. Our calculations show that: (1) edge states appear in the band gap, (2) that there are a larger number of electronic states in the conduction band as compared to the valence band, and (3) the relative number of edge states decreases with increasing dot size. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000352591200005 |
Publication Date |
2015-04-11 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121; 1550-235x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
44 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-VI) and the Methusalem Foundation of the Flemish government. Stefan Pavlovic is supported by JoinEU-SEE IV, Erasmus Mundus Action 2 programme. We thank J. M. Pereira for interesting discussions. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:132516 |
Serial |
4170 |
Permanent link to this record |
|
|
|
Author |
da Costa, D.R.; Zarenia, M.; Chaves, A.; Farias, G.A.; Peeters, F.M. |
Title |
Energy levels of bilayer graphene quantum dots |
Type |
A1 Journal article |
Year |
2015 |
Publication ![sorted by Publication field, ascending order (up)](img/sort_asc.gif) |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
115437 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Within a tight binding approach we investigate the energy levels of hexagonal and triangular bilayer graphene (BLG) quantum dots (QDs) with zigzag and armchair edges. We study AA- and AB-(Bernal) stacked BLG QDs and obtain the energy levels in both the absence and the presence of a perpendicular electric field (i.e., biased BLG QDs). Our results show that the size dependence of the energy levels is different from that of monolayer graphene QDs. The energy spectrum of AB-stacked BLG QDs with zigzag edges exhibits edge states which spread out into the opened energy gap in the presence of a perpendicular electric field. We found that the behavior of these edges states is different for the hexagonal and triangular geometries. In the case of AA-stacked BLG QDs, the electron and hole energy levels cross each other in both cases of armchair and zigzag edges as the dot size or the applied bias increases. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000361663700003 |
Publication Date |
2015-09-24 |
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 |
21 |
Open Access |
|
Notes |
; This work was financially supported by CNPq, under contract NanoBioEstruturas 555183/2005-0, PRONEX/FUNCAP, CAPES Foundation under the process number BEX 7178/13-1, the Flemish Science Foundation (FWO-Vl), the Bilateral programme between CNPq and FWO-Vl, and the Brazilian Program Science Without Borders (CsF). ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:128726 |
Serial |
4173 |
Permanent link to this record |
|
|
|
Author |
Peymanirad, F.; Neek Amal, M.; Beheshtian, J.; Peeters, F.M. |
Title |
Graphene-silicene bilayer : a nanocapacitor with permanent dipole and piezoelectricity effect |
Type |
A1 Journal article |
Year |
2015 |
Publication ![sorted by Publication field, ascending order (up)](img/sort_asc.gif) |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
155113 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Using density functional theory, we study the electronic properties of a graphene-silicene bilayer (GSB). A single layer of silicene binds to the graphene layer with adhesion energy of about 25 meV/atom. This adhesion energy between the two layers follows accurately the well-known -1/z(2) dispersion energy as found between two infinite parallel plates. In small flakes of GSB with hydrogenated edges, negative charge is transferred from the graphene layer to the silicene layer, producing a permanent and a switchable polar bilayer, while in an infinite GSB, the negative charge is transferred from the silicene layer to the graphene layer. The graphene-silicene bilayer is a good candidate for a nanocapacitor with piezoelectric capabilities. We found that the permanent dipole of the bilayer can be tuned by an external perpendicular electric field. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000362493400002 |
Publication Date |
2015-10-09 |
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 |
17 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:128762 |
Serial |
4188 |
Permanent link to this record |
|
|
|
Author |
Kang, J.; Horzum, S.; Peeters, F.M. |
Title |
Heterostructures of graphene and nitrogenated holey graphene: Moire pattern and Dirac ring |
Type |
A1 Journal article |
Year |
2015 |
Publication ![sorted by Publication field, ascending order (up)](img/sort_asc.gif) |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
195419 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Nitrogenated holey graphene (NHG) is a recently synthesized two-dimensional material. In this paper the structural and electronic properties of heterostructures of graphene and NHG are investigated using first-principles and tight-binding calculations. Due to the lattice mismatch between NHG and graphene, the formation of a moire pattern is preferred in the graphene/NHG heterostructure, instead of a lattice-coherent structure. In moire-patterned graphene/NHG, the band gap opening at the K point is negligible, and the linear band dispersion of graphene survives. Applying an electric field modifies the coupling strength between the two atomic layers. The Fermi velocity upsilon(F) is reduced as compared to the one of pristine graphene, and its magnitude depends on the twist angle theta between graphene and NHG: For theta = 0 degrees, upsilon(F) is 30% of that of graphene, and it increases rapidly to a value of 80% with increasing theta. The heterostructure exhibits electron-hole asymmetry in upsilon(F), which is large for small theta. In NHG encapsulated between two graphene layers, a “Dirac ring” appears around the K point. Its presence is robust with respect to the relative stacking of the two graphene layers. These findings can be useful for future applications of graphene/NHG heterostructures. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000364998000006 |
Publication Date |
2015-11-19 |
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 |
33 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:130266 |
Serial |
4189 |
Permanent link to this record |
|
|
|
Author |
Zha, G.-Q.; Covaci, L.; Peeters, F.M.; Zhou, S.-P. |
Title |
Majorana zero-energy modes and spin current evolution in mesoscopic superconducting loop systems with spin-orbit interaction |
Type |
A1 Journal article |
Year |
2015 |
Publication ![sorted by Publication field, ascending order (up)](img/sort_asc.gif) |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
094516 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The Majorana zero modes and persistent spin current in mesoscopic d-wave-superconducting loops with spin-orbit (SO) interaction are investigated by numerically solving the spin-generalized Bogoliubov-de Gennes equations self-consistently. For some appropriate strength of the SO coupling, Majorana zero-energy states and sharp jumps of the spin-polarized currents can be observed when the highest energy levels cross the Fermi energy in the spectrum, leading to spin currents with opposite chirality flowing near the inner and outer edges of the sample. When the threaded magnetic flux turns on, four flux-dependent patterns of the persistent spin current with step-like features show up, accompanied by Majorana edge modes at flux values where the energy gap closes. Moreover, the Majorana zero mode is highly influenced by the direction of the Zeeman field. A finite in-plane field can lead to the gap opening since the inversion symmetry is broken. Remarkably, multiple Majorana zero-energy states occur in the presence of an out-of-plane field h(z), and the number of steps in the spin current evolution can be effectively tuned by the field strength due to the shift of Majorana zero modes. Finally, when the loop sample contains surface indentation defects, zero-energy modes can always show up in the presence of an appropriate h(z). Interestingly, multiple Majorana states may be present in the system with a corner defect even if h(z) = 0. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000362081000002 |
Publication Date |
2015-09-30 |
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 |
11 |
Open Access |
|
Notes |
; This work was supported by National Natural Science Foundation of China under Grants No. 61371020, No. 61271163, and No. 61571277, by the Visiting Scholar Program of Shanghai Municipal Education Commission, and by the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:132467 |
Serial |
4203 |
Permanent link to this record |
|
|
|
Author |
Neek-Amal, M; Peeters, F.M. |
Title |
Partially hydrogenated and fluorinated graphene : structure, roughness, and negative thermal expansion |
Type |
A1 Journal article |
Year |
2015 |
Publication ![sorted by Publication field, ascending order (up)](img/sort_asc.gif) |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
155430 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The structural properties of partially hydrogenated and fluorinated graphene with different percentages of H/F atoms are investigated using molecular dynamics simulations based on reactive force field (ReaxFF) potentials. We found that the roughness of graphene varies with the percentage (p) of H or F and in both cases is maximal around p = 50%. Similar results were obtained for partially oxidized graphene. The two-dimensional area size of partially fluorinated and hydrogenated graphene exhibits a local minimum around p = 35% coverage. The lattice thermal contraction in partially functionalized graphene is found to be one order of magnitude larger than that of fully covered graphene. We also show that the armchair structure for graphene oxide (similar to the structure of fully hydrogenated and fluorinated graphene) is unstable. Our results show that the structure of partially functionalized graphene changes nontrivially with the C : H and C : F ratio as well as with temperature. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000363294100005 |
Publication Date |
2015-10-23 |
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 |
5 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:129448 |
Serial |
4221 |
Permanent link to this record |
|
|
|
Author |
Brito, B.G.A.; Candido, L.; Hai, G.-Q.; Peeters, F.M. |
Title |
Quantum effects in a free-standing graphene lattice : path-integral against classical Monte Carlo simulations |
Type |
A1 Journal article |
Year |
2015 |
Publication ![sorted by Publication field, ascending order (up)](img/sort_asc.gif) |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
195416 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
In order to study quantum effects in a two-dimensional crystal lattice of a free-standing monolayer graphene, we have performed both path-integral Monte Carlo (PIMC) and classical Monte Carlo (MC) simulations for temperatures up to 2000 K. The REBO potential is used for the interatomic interaction. The total energy, interatomic distance, root-mean-square displacement of the atom vibrations, and the free energy of the graphene layer are calculated. The obtained lattice vibrational energy per atom from the classical MC simulation is very close to the energy of a three-dimensional harmonic oscillator 3k(B)T. The PIMC simulation shows that quantum effects due to zero-point vibrations are significant for temperatures T < 1000 K. The quantum contribution to the lattice vibrational energy becomes larger than that of the classical lattice for T < 400 K. The lattice expansion due to the zero-point motion causes an increase of 0.53% in the lattice parameter. A minimum in the lattice parameter appears at T similar or equal to 500 K. Quantum effects on the atomic vibration amplitude of the graphene lattice and its free energy are investigated. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000368095400004 |
Publication Date |
2015-11-13 |
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 |
22 |
Open Access |
|
Notes |
; This research was supported by the Brazilian agencies FAPESP, FAPEG, and CNPq, the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:131144 |
Serial |
4232 |
Permanent link to this record |
|
|
|
Author |
Tahir, M.; Vasilopoulos, P.; Peeters, F.M. |
Title |
Quantum magnetotransport properties of a MoS2 monolayer |
Type |
A1 Journal article |
Year |
2016 |
Publication ![sorted by Publication field, ascending order (up)](img/sort_asc.gif) |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
93 |
Issue |
93 |
Pages |
035406 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We study transport properties of a MoS2 monolayer in the presence of a perpendicular magnetic field B. We derive and discuss its band structure and take into account spin and valley Zeeman effects. Compared to a conventional two-dimensional electron gas, these effects lead to new quantum Hall plateaus and new peaks in the longitudinal resistivity as functions of the magnetic field. The field B leads to a significant enhancement of the spin splitting in the conduction band, to a beating of the Shubnikov-de Haas (SdH) oscillations in the low-field regime, and to their splitting in the high-field regime. The Zeeman fields suppress significantly the beating of the SdH oscillations in the low-field regime and strongly enhance their splitting at high fields. The spin and valley polarizations show a similar beating pattern at low fields and are clearly separated at high fields in which they attain a value higher than 90%. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000367663500003 |
Publication Date |
2016-01-05 |
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 |
42 |
Open Access |
|
Notes |
; This work was supported by the Canadian NSERC Grant No. OGP0121756 (M.T., P.V.) and by the Flemish Science Foundation (FWO-Vl) (F.M.P.). ; |
Approved |
Most recent IF: 3.836 |
Call Number |
UA @ lucian @ c:irua:131093 |
Serial |
4233 |
Permanent link to this record |
|
|
|
Author |
Çakir, D.; Sevik, C.; Peeters, F.M. |
Title |
Significant effect of stacking on the electronic and optical properties of few-layer black phosphorus |
Type |
A1 Journal article |
Year |
2015 |
Publication ![sorted by Publication field, ascending order (up)](img/sort_asc.gif) |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
165406 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The effect of the number of stacking layers and the type of stacking on the electronic and optical properties of bilayer and trilayer black phosphorus are investigated by using first-principles calculations within the framework of density functional theory. We find that inclusion of many-body effects (i.e., electron-electron and electron-hole interactions) modifies strongly both the electronic and optical properties of black phosphorus. While trilayer black phosphorus with a particular stacking type is found to be a metal by using semilocal functionals, it is predicted to have an electronic band gap of 0.82 eV when many-body effects are taken into account within the G(0)W(0) scheme. Though different stacking types result in similar energetics, the size of the band gap and the optical response of bilayer and trilayer phosphorene are very sensitive to the number of layers and the stacking type. Regardless of the number of layers and the type of stacking, bilayer and trilayer black phosphorus are direct band gap semiconductors whose band gaps vary within a range of 0.3 eV. Stacking arrangements that are different from the ground state structure in both bilayer and trilayer black phosphorus exhibit significant modified valence bands along the zigzag direction and result in larger hole effective masses. The optical gap of bilayer (trilayer) black phosphorus varies by 0.4 (0.6) eV when changing the stacking type. The calculated binding energy of the bound exciton hardly changes with the type of stacking and is found to be 0.44 (0.30) eV for bilayer (trilayer) phosphorous. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000362435300005 |
Publication Date |
2015-10-08 |
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 |
127 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. C.S. acknowledges support from Turkish Academy of Sciences (TUBA-GEBIP). ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:128320 |
Serial |
4242 |
Permanent link to this record |
|
|
|
Author |
Missault, N.; Vasilopoulos, P.; Vargiamidis, V.; Peeters, F.M.; Van Duppen, B. |
Title |
Spin- and valley-dependent transport through arrays of ferromagnetic silicene junctions |
Type |
A1 Journal article |
Year |
2015 |
Publication ![sorted by Publication field, ascending order (up)](img/sort_asc.gif) |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
195423 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We study ballistic transport of Dirac fermions in silicene through arrays of barriers, of width d, in the presence of an exchange field M and a tunable potential of height U or depth-U. The spin-and valley-resolved conductances as functions of U or M, exhibit resonances away from the Dirac point (DP) and close to it a pronounced dip that becomes a gap when a critical electric field E-z is applied. This gap widens by increasing the number of barriers and can be used to realize electric field-controlled switching of the current. The spin p(s) and valley p(v) polarizations of the current near the DP increase with Ez or M and can reach 100% for certain of their values. These field ranges widen significantly by increasing the number of barriers. Also, ps and pv oscillate nearly periodically with the separation between barriers or wells and can be inverted by reversing M. |
Address |
|
Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000364998100006 |
Publication Date |
2015-11-20 |
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 |
54 |
Open Access |
|
Notes |
; This work was supported by the Canadian NSERC Grant No. OGP0121756 (P.V.) and by the Flemish Science Foundation (FWO-Vl) with a Ph.D. research grant (B.V.D.). ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:130264 |
Serial |
4247 |
Permanent link to this record |
|
|
|
Author |
Kang, J.; Sahin, H.; Ozaydin, H.D.; Senger, R.T.; Peeters, F.M. |
Title |
TiS3 nanoribbons : width-independent band gap and strain-tunable electronic properties |
Type |
A1 Journal article |
Year |
2015 |
Publication ![sorted by Publication field, ascending order (up)](img/sort_asc.gif) |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
075413 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The electronic properties, carrier mobility, and strain response of TiS3 nanoribbons (TiS3 NRs) are investigated by first-principles calculations. We found that the electronic properties of TiS3 NRs strongly depend on the edge type (a or b). All a-TiS3 NRs are metallic with a magnetic ground state, while b-TiS3 NRs are direct band gap semiconductors. Interestingly, the size of the band gap and the band edge position are almost independent of the ribbon width. This feature promises a constant band gap in a b-TiS3 NR with rough edges, where the ribbon width differs in different regions. The maximum carrier mobility of b-TiS3 NRs is calculated by using the deformation potential theory combined with the effective mass approximation and is found to be of the order 10(3) cm(2) V-1 s(-1). The hole mobility of the b-TiS3 NRs is one order of magnitude lower, but it is enhanced compared to the monolayer case due to the reduction in hole effective mass. The band gap and the band edge position of b-TiS3 NRs are quite sensitive to applied strain. In addition we investigate the termination of ribbon edges by hydrogen atoms. Upon edge passivation, the metallic and magnetic features of a-TiS3 NRs remain unchanged, while the band gap of b-TiS3 NRs is increased significantly. The robust metallic and ferromagnetic nature of a-TiS3 NRs is an essential feature for spintronic device applications. The direct, width-independent, and strain-tunable band gap, as well as the high carrier mobility, of b-TiS3 NRs is of potential importance in many fields of nanoelectronics, such as field-effect devices, optoelectronic applications, and strain sensors. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000359344100014 |
Publication Date |
2015-08-10 |
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 |
55 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, the 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), which is funded by the Hercules Foundation. H.S. is supported by a FWO Pegasus-Long Marie Curie Fellowship, and J.K. is supported by a FWO Pegasus-Short Marie Curie Fellowship. H.S. and R.T.S. acknowledge support from TUBITAK through Project No. 114F397. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:127760 |
Serial |
4259 |
Permanent link to this record |
|
|
|
Author |
Michel, K.H.; Costamagna; Peeters, F.M. |
Title |
Theory of anharmonic phonons in two-dimensional crystals |
Type |
A1 Journal article |
Year |
2015 |
Publication ![sorted by Publication field, ascending order (up)](img/sort_asc.gif) |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
91 |
Issue |
91 |
Pages |
134302 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Anharmonic effects in an atomic monolayer thin crystal with honeycomb lattice structure are investigated by analytical and numerical lattice dynamical methods. Starting from a semiempirical model for anharmonic couplings of third and fourth orders, we study the in-plane and out-of-plane (flexural) mode components of the generalized wave vector dependent Gruneisen parameters, the thermal tension and the thermal expansion coefficients as a function of temperature and crystal size. From the resonances of the displacement-displacement correlation functions, we obtain the renormalization and decay rate of in-plane and flexural phonons as a function of temperature, wave vector, and crystal size in the classical and in the quantum regime. Quantitative results are presented for graphene. There, we find that the transition temperature T-alpha from negative to positive thermal expansion is lowered with smaller system size. Renormalization of the flexural mode has the opposite effect and leads to values of T-alpha approximate to 300 K for systems of macroscopic size. Extensive numerical analysis throughout the Brillouin zone explores various decay and scattering channels. The relative importance of normal and umklapp processes is investigated. The work is complementary to crystalline membrane theory and computational studies of anharmonic effects in two-dimensional crystals. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000353031000001 |
Publication Date |
2015-04-17 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121; 1550-235x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
38 |
Open Access |
|
Notes |
; We thank B. Verberck, D. Lamoen, and A. Dobry for useful comments. We acknowledge funding from the FWO (Belgium)-MINCyT (Argentina) collaborative research project. This work is supported by the EuroGRAPHENE project CONGRAN. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:132512 |
Serial |
4263 |
Permanent link to this record |
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Author |
Torun, E.; Sahin, H.; Bacaksiz, C.; Senger, R.T.; Peeters, F.M. |
Title |
Tuning the magnetic anisotropy in single-layer crystal structures |
Type |
A1 Journal article |
Year |
2015 |
Publication ![sorted by Publication field, ascending order (up)](img/sort_asc.gif) |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
104407 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The effect of an applied electric field and the effect of charging are investigated on themagnetic anisotropy (MA) of various stable two-dimensional (2D) crystals such as graphene, FeCl2, graphone, fluorographene, and MoTe2 using first-principles calculations. We found that themagnetocrystalline anisotropy energy of Co-on-graphene and Os-doped-MoTe2 systems change linearly with electric field, opening the possibility of electric field tuningMAof these compounds. In addition, charging can rotate the easy-axis direction ofCo-on-graphene andOs-doped-MoTe2 systems from the out-of-plane (in-plane) to in-plane (out-of-plane) direction. The tunable MA of the studied materials is crucial for nanoscale electronic technologies such as data storage and spintronics devices. Our results show that controlling the MA of the mentioned 2D crystal structures can be realized in various ways, and this can lead to the emergence of a wide range of potential applications where the tuning and switching of magnetic functionalities are important. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000360961400004 |
Publication Date |
2015-09-11 |
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 |
|
Edition |
|
ISSN |
1098-0121; 1550-235x |
ISBN |
|
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 Foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules Foundation. H.S. is supported by a FWO Pegasus Marie Curie Fellowship. C.B. and R.T.S. acknowledge support from TUBITAK Project No. 111T318. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:127838 |
Serial |
4269 |
Permanent link to this record |
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Author |
Cabral, L.R.E.; de Aquino, B.R.C.H.T.; de Souza Silva, C.C.; Milošević, M.V.; Peeters, F.M. |
Title |
Two-shell vortex and antivortex dynamics in a Corbino superconducting disk |
Type |
A1 Journal article |
Year |
2016 |
Publication ![sorted by Publication field, ascending order (up)](img/sort_asc.gif) |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
93 |
Issue |
93 |
Pages |
014515 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We examine theoretically the dynamics of two vortex shells in pinning-free superconducting thin disks in the Corbino geometry. In the first considered case, the inner shell is composed of vortices and the outer one of antivortices, corresponding to a state induced by the stray field of an off-plane magnetic dipole placed on top of the superconductor. In the second considered case, both shells comprise vortices induced by a homogeneous external field. We derive the equation of motion for each shell within the Bardeen-Stephen model and study the dynamics analytically by assuming both shells are rigid and commensurate. In both cases, two distinct regimes for vortex shell motion are identified: For low applied currents the entire configuration rotates rigidly, while above a threshold current the shells decouple from each other and rotate at different angular velocities. Analytical expressions for the decoupling current, the recombination time in the decoupled phases, as well as the voltage-current characteristics are presented. Our analytical results are in excellent agreement with numerical molecular dynamics simulations of the full many-vortex problem. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000368481600003 |
Publication Date |
2016-01-25 |
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 |
|
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 |
7 |
Open Access |
|
Notes |
; This work was supported by the Brazilian Science Agencies CAPES, CNPq, and FACEPE under Grants No. APQ-1381-1.05/12, No. APQ 2017-1.05/12, and No. APQ-0598/1.05-08 and by EU-COST Action No. MP1201 and the Research Foundation-Flanders (FWO). ; |
Approved |
Most recent IF: 3.836 |
Call Number |
UA @ lucian @ c:irua:131541 |
Serial |
4270 |
Permanent link to this record |
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Author |
Krstajić, P.M.; Van Duppen, B.; Peeters, F.M. |
Title |
Plasmons and their interaction with electrons in trilayer graphene |
Type |
A1 Journal article |
Year |
2013 |
Publication ![sorted by Publication field, ascending order (up)](img/sort_asc.gif) |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
88 |
Issue |
19 |
Pages |
195423 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The interaction between electrons and plasmons in trilayer graphene is investigated within the Overhauser approach resulting in the “plasmaron” quasiparticle. This interaction is cast into a field theoretical problem, and its effect on the energy spectrum is calculated using improved Wigner-Brillouin perturbation theory. The plasmaron spectrum is shifted with respect to the bare electron spectrum by ΔE(k)∼150−200meV for ABC stacked trilayer graphene and for ABA trilayer graphene by ΔE(k)∼30−150 meV[ ΔE(k) ∼1 −5meV] for the hyperbolic (linear) part of the spectrum. The shift in general increases with the electron concentration and electron momentum. The dispersion of plasmarons is more pronounced in ABC stacked than in ABA stacked trilayer graphene, because of the different energy band structure and their different plasmon dispersion. |
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 |
000327239200003 |
Publication Date |
2013-11-21 |
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 |
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 Flemish Science Foundation (FWO-Vl), by 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 |
CMT @ cmt @ c:irua:112702 |
Serial |
4489 |
Permanent link to this record |
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Author |
Dzhurakhalov, A.A.; Atanasov, I.; Hou, M. |
Title |
Calculation of binary and ternary metallic immiscible clusters with icosahedral structures |
Type |
A1 Journal article |
Year |
2008 |
Publication ![sorted by Publication field, ascending order (up)](img/sort_asc.gif) |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
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Issue |
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Pages |
115415 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Recently, core-shell Ag-Co, Ag-Cu, and “onionlike” Cu-Co equilibrium configurations were predicted in the case of isolated face centered cubic (fcc) bimetallic clusters, and three shell onionlike configurations were predicted in the case of ternary metallic clusters with spherical and truncated octahedral morphologies. In the present paper, immiscible binary CuCo and ternary AgCuCo clusters with icosahedral structures are studied as functions of their size and composition. Clusters studied are formed by 13, 55, 147, 309, and 561 atoms corresponding to the five smallest possible closed shell icosahedral structures. An embedded atom model potential is used to describe their cohesion. Equilibrium configurations are investigated by means of Metropolis Monte Carlo free energy minimization in the (NPT) canonical ensemble. Most simulations are achieved at 10 and 300 K. The effect of temperature on segregation ordering is systematically investigated. Selected cases are used to identify the effect of size and composition on melting. In contrast with fcc clusters, homogeneous onionlike configurations of binary clusters are not predicted. When it is allowed by the composition, a complete outer shell is formed by Cu in binary Cu-Co clusters and by Ag in ternary Ag-Cu-Co clusters. Depending on temperature, Co may precipitate into decahedral groups under the Cu vertices of the icosahedra in binary clusters, while the Co-Cu configuration in ternary clusters drastically depends on the Ag coating. Despite the multicomponent character of the clusters and the immiscibility of the species forming them, for most compositions and sizes, equilibrium structures remain close to perfectly icosahedral at 10 K as well as at 300 K. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000254542800167 |
Publication Date |
2008-03-11 |
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 |
11 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2008 IF: 3.322 |
Call Number |
UA @ lucian @ c:irua:104033 |
Serial |
4517 |
Permanent link to this record |
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Author |
Çakir, D.; Otalvaro, D.M.; Brocks, G. |
Title |
From spin-polarized interfaces to giant magnetoresistance in organic spin valves |
Type |
A1 Journal article |
Year |
2014 |
Publication ![sorted by Publication field, ascending order (up)](img/sort_asc.gif) |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
89 |
Issue |
11 |
Pages |
115407 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We calculate the spin-polarized electronic transport through a molecular bilayer spin valve from first principles, and establish the link between the magnetoresistance and the spin-dependent interactions at the metal-molecule interfaces. The magnetoresistance of a Fe vertical bar bilayer-C-70 vertical bar Fe spin valve attains a high value of 70% in the linearresponse regime, but it drops sharply as a function of the applied bias. The current polarization has a value of 80% in linear response and also decreases as a function of bias. Both these trends can be modeled in terms of prominent spin-dependent Fe vertical bar C-70 interface states close to the Fermi level, unfolding the potential of spinterface science to control and optimize spin currents. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000332504900007 |
Publication Date |
2014-03-10 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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 |
14 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:128321 |
Serial |
4596 |
Permanent link to this record |
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Author |
Gillis, S.; Jaykka, J.; Milošević, M.V. |
Title |
Vortex states in mesoscopic three-band superconductors |
Type |
A1 Journal article |
Year |
2014 |
Publication ![sorted by Publication field, ascending order (up)](img/sort_asc.gif) |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
89 |
Issue |
2 |
Pages |
024512 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Using multicomponent Ginzburg-Landau simulations, we show a plethora of vortex states possible in mesoscopic three-band superconductors. We find that mesoscopic confinement stabilizes chiral states, with nontrivial phase differences between the band condensates, as the ground state of the system. As a consequence, we report the broken-symmetry vortex states, the chiral states where vortex cores in different band condensates do not coincide (split-core vortices), as well as fractional-flux vortex states with broken time-reversal symmetry. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000333653800001 |
Publication Date |
2014-01-24 |
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 |
26 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO). Critical remarks of Lucia Komendova are gratefully acknowledged. ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:128885 |
Serial |
4611 |
Permanent link to this record |
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Author |
Kukhlevsky, S.V.; Mechler, M.; Csapo, L.; Janssens, K.; Samek, O. |
Title |
Enhanced transmission versus localization of a light pulse by a subwavelength metal slit |
Type |
A1 Journal article |
Year |
2004 |
Publication ![sorted by Publication field, ascending order (up)](img/sort_asc.gif) |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
70 |
Issue |
19 |
Pages |
195428,1-9 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000225477800152 |
Publication Date |
2004-11-19 |
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; 2004 IF: 3.075 |
Call Number |
UA @ admin @ c:irua:50849 |
Serial |
5604 |
Permanent link to this record |