| |
Records |
Links |
|
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 |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000317390700001 |
Publication Date |
2013-04-11 |
|
| |
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 |
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 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Verberck, B.; Michel, K.H. |
|
| |
Title |
Nanotube field of C60 and C70 molecules in carbon nanotubes |
Type |
A1 Journal article |
| |
Year |
2007 |
Publication |
International journal of quantum chemistry |
Abbreviated Journal |
Int J Quantum Chem |
|
| |
Volume |
107 |
Issue |
13 |
Pages |
2294-2319 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
|
| |
Language |
|
Wos |
000249459800002 |
Publication Date |
2007-02-20 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0020-7608;1097-461X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.92 |
Times cited |
6 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 2.92; 2007 IF: 1.368 |
|
| |
Call Number |
UA @ lucian @ c:irua:65785 |
Serial |
2282 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Szaszko-Bogar, V.; Foeldi, P.; Peeters, F.M. |
|
| |
Title |
Oscillating spin-orbit interaction as a source of spin-polarized wavepackets in two-terminal nanoscale devices |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
|
| |
Volume |
26 |
Issue |
13 |
Pages |
135302 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Ballistic transport through nanoscale devices with time-dependent Rashba-type spin- orbit interaction (SOI) can lead to spin-polarized wavepackets that appear even for completely unpolarized input. The SOI that oscillates in a finite domain generates density and spin polarization fluctuations that leave the region as propagating waves. In particular, spin polarization has space and time dependence even in regions without SOI. Our results are based on an analytical solution of the time-dependent Schrodinger equation. The relevant Floquet quasi-energies that are obtained appear in the energy spectrum of both the transmitted and the reflected waves. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
London |
Editor |
|
|
| |
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.649 |
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 2.649; 2014 IF: 2.346 |
|
| |
Call Number |
UA @ lucian @ c:irua:116844 |
Serial |
2533 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Berdiyorov, G.R.; Milošević, M.V.; Savel'ev, S.; Kusmartsev, F.; Peeters, F.M. |
|
| |
Title |
Parametric amplification of vortex-antivortex pair generation in a Josephson junction |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
90 |
Issue |
13 |
Pages |
134505 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Using advanced three-dimensional simulations, we show that an Abrikosov vortex, trapped inside a cavity perpendicular to an artificial Josephson junction, can serve as a very efficient source for generation of Josephson vortex-antivortex pairs in the presence of the applied electric current. In such a case, the nucleation rate of the pairs can be tuned in a broad range by an out-of-plane ac magnetic field in a broad range of frequencies. This parametrically amplified vortex-antivortex nucleation can be considered as a macroscopic analog of the dynamic Casimir effect, where fluxon pairs mimic the photons and the ac magnetic field plays the role of the oscillating mirrors. The emerging vortex pairs in our system can be detected by the pronounced features in the measured voltage characteristics, or through the emitted electromagnetic radiation, and exhibit resonant dynamics with respect to the frequency of the applied magnetic field. Reported tunability of the Josephson oscillations can be useful for developing high-frequency emission devices. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000344025100003 |
Publication Date |
2014-10-06 |
|
| |
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 work was supported by the Flemish Science Foundation (FWO-VI) and the Leverhulme Trust. G.R.B. acknowledges support from a EU-Marie Curie individual grant (Grant No. 253057) ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
|
| |
Call Number |
UA @ lucian @ c:irua:121176 |
Serial |
2553 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M. |
|
| |
Title |
Superconducting films with weak pinning centers: incommenssurate vortex lattices |
Type |
A1 Journal article |
| |
Year |
2007 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
76 |
Issue |
13 |
Pages |
134508,1-134508,6 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
|
| |
Language |
|
Wos |
000250619800087 |
Publication Date |
2007-10-15 |
|
| |
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 |
19 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2007 IF: 3.172 |
|
| |
Call Number |
UA @ lucian @ c:irua:67348 |
Serial |
3353 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Geurts, R.; Milošević, M.V.; Peeters, F.M. |
|
| |
Title |
Symmetric and asymmetric vortex-antivortex molecules in a fourfold superconducting geometry |
Type |
A1 Journal article |
| |
Year |
2006 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
|
| |
Volume |
97 |
Issue |
13 |
Pages |
1-4 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
|
| |
Language |
|
Wos |
000240872700054 |
Publication Date |
2006-09-28 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0031-9007;1079-7114; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
8.462 |
Times cited |
54 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 8.462; 2006 IF: 7.072 |
|
| |
Call Number |
UA @ lucian @ c:irua:60997 |
Serial |
3401 |
|
| Permanent link to this record |
| |
|
| |
|
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 |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000317390000006 |
Publication Date |
2013-04-11 |
|
| |
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 |
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 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Flammia, L.; Zhang, L.-F.; Covaci, L.; Perali, A.; Milošević, M.V. |
|
| |
Title |
Superconducting nanoribbon with a constriction : a quantum-confined Josephson junction |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
97 |
Issue |
13 |
Pages |
134514 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Extended defects are known to strongly affect nanoscale superconductors. Here, we report the properties of superconducting nanoribbons with a constriction formed between two adjacent step edges by solving the Bogoliubov-de Gennes equations self-consistently in the regime where quantum confinement is important. Since the quantum resonances of the superconducting gap in the constricted area are different from the rest of the nanoribbon, such constriction forms a quantum-confined S-S'-S Josephson junction, with a broadly tunable performance depending on the length and width of the constriction with respect to the nanoribbon, and possible gating. These findings provide an intriguing approach to further tailor superconducting quantum devices where Josephson effect is of use. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
|
|
| |
Language |
|
Wos |
000430161500004 |
Publication Date |
2018-04-17 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
7 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Research Foundation Flanders (FWO-Vlaanderen), the Special Research Funds of the University of Antwerp (TOPBOF), the Italian MIUR through the PRIN 2015 program (Contract No. 2015C5SEJJ001), the MultiSuper network, and the EU-COST NANOCOHYBRI action CA16218. ; |
Approved |
Most recent IF: 3.836 |
|
| |
Call Number |
UA @ lucian @ c:irua:150754UA @ admin @ c:irua:150754 |
Serial |
4980 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Li, L.L.; Bacaksiz, C.; Nakhaee, M.; Pentcheva, R.; Peeters, F.M.; Yagmurcukardes, M. |
|
| |
Title |
Single-layer Janus black arsenic-phosphorus (b-AsP): optical dichroism, anisotropic vibrational, thermal, and elastic properties |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
101 |
Issue |
13 |
Pages |
134102-134109 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
By using density functional theory (DFT) calculations, we predict a puckered, dynamically stable Janus single-layer black arsenic-phosphorus (b-AsP), which is composed of two different atomic sublayers, arsenic and phosphorus atoms. The calculated phonon spectrum reveals that Janus single-layer b-AsP is dynamically stable with either pure or coupled optical phonon branches arising from As and P atoms. The calculated Raman spectrum indicates that due to the relatively strong P-P bonds, As atoms have no contribution to the highfrequency optical vibrations. In addition, the orientation-dependent isovolume heat capacity reveals anisotropic contributions of LA and TA phonon branches to the low-temperature thermal properties. Unlike pristine single layers of b-As and b-P, Janus single-layer b-AsP exhibits additional out-of-plane asymmetry which leads to important consequences for its electronic, optical, and elastic properties. In contrast to single-layer b-As, Janus single-layer b-AsP is found to possess a direct band gap dominated by the P atoms. Moreover, real and imaginary parts of the dynamical dielectric function, including excitonic effects, reveal the highly anisotropic optical feature of the Janus single-layer. A tight-binding (TB) model is also presented for Janus single-layer b-AsP, and it is shown that, with up to seven nearest hoppings, the TB model reproduces well the DFT band structure in the low-energy region around the band gap. This TB model can be used in combination with the Green's function approach to study, e.g., quantum transport in finite systems based on Janus single-layer b-AsP. Furthermore, the linear-elastic properties of Janus single-layer b-AsP are investigated, and the orientation-dependent in-plane stiffness and Poisson ratio are calculated. It is found that the Janus single layer exhibits strong in-plane anisotropy in its Poisson ratio much larger than that of single-layer b-P. This Janus single layer is relevant for promising applications in optical dichroism and anisotropic nanoelasticity. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000524531900001 |
Publication Date |
2020-04-09 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.7 |
Times cited |
30 |
Open Access |
|
|
| |
Notes |
; This work was supported by the German Science Foundation (DFG) within SFB/TRR80 (project G3) and the FLAGERA project TRANS-2D-TMD. M.Y. was supported by a postdoctoral fellowship from the Flemish Science Foundation (FWO-Vl). Computational resources were provided by the Flemish Supercomputer Center (VSC) and Leibniz Supercomputer Centrum (project pr87ro). ; |
Approved |
Most recent IF: 3.7; 2020 IF: 3.836 |
|
| |
Call Number |
UA @ admin @ c:irua:168554 |
Serial |
6602 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Osca, J.; Sorée, B. |
|
| |
Title |
Torque field and skyrmion motion by spin transfer torque in a quasi-2D interface in presence of strong spin-orbit interaction |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Journal Of Applied Physics |
Abbreviated Journal |
J Appl Phys |
|
| |
Volume |
130 |
Issue |
13 |
Pages |
133903 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We investigate the torque field and skyrmion motion at an interface between a ferromagnet hosting a skyrmion and a material with a strong spin-orbit interaction. We analyze both semiconductor materials and topological insulators using a Hamiltonian model that includes a linear term. The spin torque-inducing current is considered to flow in the single band limit; therefore, a quantum model of current is used. Skyrmion motion due to spin transfer torque proves to be more difficult in the presence of a spin-orbit interaction in the case where only interface in-plane currents are present. However, edge effects in narrow nanowires can be used to drive the skyrmion motion and to exert a limited control on its motion direction. We also show the differences and similarities between torque fields due to electric current in the many and single band limits. Published under an exclusive license by AIP Publishing. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000755090400003 |
Publication Date |
2021-10-07 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0021-8979; 1089-7550 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.068 |
Times cited |
|
Open Access |
Not_Open_Access |
|
| |
Notes |
|
Approved |
Most recent IF: 2.068 |
|
| |
Call Number |
UA @ admin @ c:irua:186452 |
Serial |
7034 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Nulens, L.; Dausy, H.; Wyszynski, M.J.; Raes, B.; Van Bael, M.J.; Milošević, M.V.; Van de Vondel, J. |
|
| |
Title |
Metastable states and hidden phase slips in nanobridge SQUIDs |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
106 |
Issue |
13 |
Pages |
134518-134519 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We fabricated an asymmetric nanoscale SQUID consisting of one nanobridge weak link and one Dayem bridge weak link. The current phase relation of these particular weak links is characterized by multivaluedness and linearity. While the latter is responsible for a particular magnetic field dependence of the critical current (so-called vorticity diamonds), the former enables the possibility of different vorticity states (phase winding numbers) existing at one magnetic field value. In experiments the observed critical current value is stochastic in nature, does not necessarily coincide with the current associated with the lowest energy state and critically depends on the measurement conditions. In this paper, we unravel the origin of the observed metastability as a result of the phase dynamics happening during the freezing process and while sweeping the current. Moreover, we employ special measurement protocols to prepare the desired vorticity state and identify the (hidden) phase slip dynamics ruling the detected state of these nanodevices. In order to gain insights into the dynamics of the condensate and, more specifically the hidden phase slips, we performed time-dependent Ginzburg-Landau simulations. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000904657300007 |
Publication Date |
2022-10-31 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.7 |
Times cited |
1 |
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: 3.7 |
|
| |
Call Number |
UA @ admin @ c:irua:193393 |
Serial |
7321 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Korkmaz, Y.A.; Bulutay, C.; Sevik, C. |
|
| |
Title |
k · p parametrization and linear and circular dichroism in strained monolayer (Janus) transition metal dichalcogenides from first-principles |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Journal Of Physical Chemistry C |
Abbreviated Journal |
J Phys Chem C |
|
| |
Volume |
125 |
Issue |
13 |
Pages |
7439-7450 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Semiconductor monolayer transition metal dichalcogenides (TMDs) have brought a new paradigm by introducing optically addressable valley degree of freedom. Concomitantly, their high flexibility constitutes a unique platform that links optics to mechanics via valleytronics. With the intention to expedite the research in this direction, we investigated ten TMDs, namely MoS2, MoSe2, MoTe2, WS2, WSe2, WTe2, MoSSe, MoSeTe, WSSe, and WSeTe, which particularly includes their so-called janus types (JTMDs). First, we obtained their electronic band structures using regular and hybrid density functional theory (DFT) calculations in the presence of the spin-orbit coupling and biaxial or uniaxial strain. Our DFT results indicated that against the expectations based on their reported piezoelectric behavior, JTMDs typically interpolated between the standard band properties of the constituent TMDs without producing a novel feature. Next, by fitting to our DFT data we generated both spinless and spinful k center dot p parameter sets which are quite accurate over the K valley where the optical activity occurs. As an important application of this parametrization, we considered the circular and linear dichroism under strain. Among the studied (J)TMDs, WTe2 stood out with its largest linear dichroism under uniaxial strain because of its narrower band gap and large K valley uniaxial deformation potential. This led us to suggest WTe2 monolayer membranes for optical polarization-based strain measurements, or conversely, as strain tunable optical polarizers. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000639044400045 |
Publication Date |
2021-03-26 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1932-7447; 1932-7455 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.536 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: 4.536 |
|
| |
Call Number |
UA @ admin @ c:irua:178264 |
Serial |
8136 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Paulus, A.; Hendrickx, M.; Mayda, S.; Batuk, M.; Reekmans, G.; von Holst, M.; Elen, K.; Abakumov, A.M.; Adriaensens, P.; Lamoen, D.; Partoens, B.; Hadermann, J.; Van Bael, M.K.; Hardy, A. |
|
| |
Title |
Understanding the Activation of Anionic Redox Chemistry in Ti4+-Substituted Li2MnO3as a Cathode Material for Li-Ion Batteries |
Type |
A1 Journal Article |
| |
Year |
2023 |
Publication |
ACS applied energy materials |
Abbreviated Journal |
ACS Appl. Energy Mater. |
|
| |
Volume |
6 |
Issue |
13 |
Pages |
6956-6971 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
|
| |
Abstract |
Layered Li-rich oxides, demonstrating both cationic and anionic redox chemistry being used as positive electrodes for Li-ion batteries,have raised interest due to their high specific discharge capacities exceeding 250 mAh/g. However, irreversible structural transformations triggered by anionic redox chemistry result in pronounced voltagefade (i.e., lowering the specific energy by a gradual decay of discharge potential) upon extended galvanostatic cycling. Activating or suppressing oxygen anionic redox through structural stabilization induced by redox-inactivecation substitution is a well-known strategy. However, less emphasishas been put on the correlation between substitution degree and theactivation/suppression of the anionic redox. In this work, Ti4+-substituted Li2MnO3 was synthesizedvia a facile solution-gel method. Ti4+ is selected as adopant as it contains no partially filled d-orbitals. Our study revealedthat the layered “honeycomb-ordered” C2/m structure is preserved when increasing the Ticontent to x = 0.2 in the Li2Mn1-x Ti (x) O-3 solidsolution, as shown by electron diffraction and aberration-correctedscanning transmission electron microscopy. Galvanostatic cycling hintsat a delayed oxygen release, due to an improved reversibility of theanionic redox, during the first 10 charge-discharge cyclesfor the x = 0.2 composition compared to the parentmaterial (x = 0), followed by pronounced oxygen redoxactivity afterward. The latter originates from a low activation energybarrier toward O-O dimer formation and Mn migration in Li2Mn0.8Ti0.2O3, as deducedfrom first-principles molecular dynamics (MD) simulations for the“charged” state. Upon lowering the Ti substitution to x = 0.05, the structural stability was drastically improvedbased on our MD analysis, stressing the importance of carefully optimizingthe substitution degree to achieve the best electrochemical performance. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
001018266700001 |
Publication Date |
2023-07-10 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2574-0962 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
6.4 |
Times cited |
|
Open Access |
Not_Open_Access: Available from 24.12.2023 |
|
| |
Notes |
Universiteit Hasselt, AUHL/15/2 – GOH3816N ; Russian Science Foundation, 20-43-01012 ; Fonds Wetenschappelijk Onderzoek, AUHL/15/2 – GOH3816N G040116N ; The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO Vlaanderen and the Flemish Government-department EWI. |
Approved |
Most recent IF: 6.4; 2023 IF: NA |
|
| |
Call Number |
EMAT @ emat @c:irua:198160 |
Serial |
8809 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Bekaert, J. |
|
| |
Title |
Phonon-mediated superconductivity in ternary silicides X₄ CoSi (X = Nb, Ta) |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Physical review B |
Abbreviated Journal |
|
|
| |
Volume |
108 |
Issue |
13 |
Pages |
134504-134507 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
The superconducting properties of two recently synthesized ternary silicides with unit formula X<sub>4</sub>CoSi (X = Nb, Ta) are investigated through ab initio calculations combined with Eliashberg theory. Interestingly, their crystal structure comprises interlocking honeycomb networks of Nb/Ta atoms. Nb<sub>4</sub>CoSi is found to harbor better conditions for phonon-mediated superconductivity, as it possesses a higher density of states at the Fermi level, fostering stronger electron-phonon coupling. The superconducting critical temperatures (T<sub>c</sub>) follow the same trend, with Nb<sub>4</sub>CoSi having a twice higher value than Ta<sub>4</sub>CoSi. Furthermore, the calculated T<sub>c</sub> values (5.9 K vs 3.1 K) agree excellently with the experimentally obtained ones, establishing superconductivity in this new materials class as mediated by the electron-phonon coupling. Furthermore, my calculations show that the superconducting properties of these compounds do not simply correlate with the parameters of their honeycomb networks, contrary to proposals raised in the literature. Rather, their complete fermiology and phonon spectrum should be taken into account in order to explain their respective superconducting properties. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
001140080300003 |
Publication Date |
2023-10-17 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:201445 |
Serial |
9071 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
De Beule, C.; Saniz, R.; Partoens, B. |
|
| |
Title |
Crystalline topological states at a topological insulator junction |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
The journal of physics and chemistry of solids |
Abbreviated Journal |
J Phys Chem Solids |
|
| |
Volume |
128 |
Issue |
128 |
Pages |
144-151 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
|
| |
Abstract |
We consider an interface between two strong time-reversal invariant topological insulators having surface states with opposite spin chirality, or equivalently, opposite mirror Chern number. We show that such an interface supports gapless modes that are protected by mirror symmetry. The interface states are investigated with a continuum model for the Bi2Se3 class of topological insulators that takes into account terms up to third order in the crystal momentum, which ensures that the model has the correct symmetry. The model parameters are obtained from ab initio calculations. Finally, we consider the effect of rotational mismatch at the interface, which breaks the mirror symmetry and opens a gap in the interface spectrum. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000472693100013 |
Publication Date |
2018-01-31 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0022-3697 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
2.059 |
Times cited |
|
Open Access |
|
|
| |
Notes |
; ; |
Approved |
Most recent IF: 2.059 |
|
| |
Call Number |
UA @ admin @ c:irua:161391 |
Serial |
5385 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Kus, M.; Altantzis, T.; Vercauteren, S.; Caretti, I.; Leenaerts, O.; Batenburg, K.J.; Mertens, M.; Meynen, V.; Partoens, B.; Van Doorslaer, S.; Bals, S.; Cool, P. |
|
| |
Title |
Mechanistic Insight into the Photocatalytic Working of Fluorinated Anatase {001} Nanosheets |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
|
| |
Volume |
121 |
Issue |
121 |
Pages |
26275-26286 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Laboratory of adsorption and catalysis (LADCA) |
|
| |
Abstract |
Anatase nanosheets with exposed {001} facets
have gained increasing interest for photocatalytic applications. To
fully understand the structure-to-activity relation, combined
experimental and computational methods have been exploited.
Anatase nanosheets were prepared under hydrothermal conditions
in the presence of fluorine ions. High resolution scanning
transmission electron microscopy was used to fully characterize
the synthesized material, confirming the TiO2 nanosheet
morphology. Moreover, the surface structure and composition
of a single nanosheet could be determined by annular bright-field
scanning transmission electron microscopy (ABF-STEM) and
STEM electron energy loss spectroscopy (STEM-EELS). The photocatalytic activity was tested for the decomposition of organic
dyes rhodamine 6G and methyl orange and compared to a reference TiO2 anatase sample. The anatase nanosheets with exposed
{001} facets revealed a significantly lower photocatalytic activity compared to the reference. In order to understand the
mechanism for the catalytic performance, and to investigate the role of the presence of F−, light-induced electron paramagnetic
resonance (EPR) experiments were performed. The EPR results are in agreement with TEM, proving the presence of Ti3+
species close to the surface of the sample and allowing the analysis of the photoinduced formation of paramagnetic species.
Further, ab initio calculations of the anisotropic effective mass of electrons and electron holes in anatase show a very high effective
mass of electrons in the [001] direction, having a negative impact on the mobility of electrons toward the {001} surface and thus
the photocatalysis. Finally, motivated by the experimental results that indicate the presence of fluorine atoms at the surface, we
performed ab initio calculations to determine the position of the band edges in anatase slabs with different terminations of the
{001} surface. The presence of fluorine atoms near the surface is shown to strongly shift down the band edges, which indicates
another reason why it can be expected that the prepared samples with a large amount of {001} surface, but with fluorine atoms
near the surface, show only a low photocatalytic activity. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000417228500017 |
Publication Date |
2017-11-30 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1932-7447 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.536 |
Times cited |
20 |
Open Access |
OpenAccess |
|
| |
Notes |
The authors acknowledge the University of Antwerp for financial support in the frame of a GOA project. S.B. acknowledges funding from the European Research Council under the Seventh Framework Program (FP7), ERC Grant No. 335078 COLOURATOM. S.V.D. and V.M. acknowledge funding from the Fund for Scientific Research-Flanders (G.0687.13). T.A. acknowledges financial support from the Research Foundation Flanders (FWO, Belgium) through a postdoctoral grant. (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); saraecas; ECAS_Sara; |
Approved |
Most recent IF: 4.536 |
|
| |
Call Number |
EMAT @ emat @c:irua:147240UA @ admin @ c:irua:147240 |
Serial |
4771 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D. |
|
| |
Title |
First-principles study of the optoelectronic properties and photovoltaic absorber layer efficiency of Cu-based chalcogenides |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
|
| |
Volume |
120 |
Issue |
120 |
Pages |
085707 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
|
| |
Abstract |
Cu-based chalcogenides are promising materials for thin-film solar cells with more than 20% measured
cell efficiency. Using first-principles calculations based on density functional theory, the
optoelectronic properties of a group of Cu-based chalcogenides Cu2-II-IV-VI4 is studied. They are
then screened with the aim of identifying potential absorber materials for photovoltaic applications.
The spectroscopic limited maximum efficiency (SLME) introduced by Yu and Zunger [Phys. Rev.
Lett. 108, 068701 (2012)] is used as a metric for the screening. After constructing the currentvoltage
curve, the SLME is calculated from the maximum power output. The role of the nature of
the band gap, direct or indirect, and also of the absorptivity of the studied materials on the maximum
theoretical power conversion efficiency is studied. Our results show that Cu2II-GeSe4 with
II¼ Cd and Hg, and Cu2-II-SnS4 with II ¼ Cd, Hg, and Zn have a higher theoretical efficiency
compared with the materials currently used as absorber layer. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000383913400074 |
Publication Date |
2016-08-30 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0021-8979 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.068 |
Times cited |
29 |
Open Access |
|
|
| |
Notes |
We acknowledge the financial support from the FWO-Vlaanderen through project G.0150.13N and a GOA fund from the University of Antwerp. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), bothfunded by the FWO-Vlaanderen and the Flemish Government–department EWI. |
Approved |
Most recent IF: 2.068 |
|
| |
Call Number |
c:irua:135089 |
Serial |
4113 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Sevik, C.; Çakir, D.; Gulseren, O.; Peeters, F.M. |
|
| |
Title |
Peculiar piezoelectric properties of soft two-dimensional materials |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
|
| |
Volume |
120 |
Issue |
120 |
Pages |
13948-13953 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Group II-VI semiconductor honeycomb monolayers have a noncentrosymmetric crystal structure and therefore are expected to be important for nano piezoelectric device applications. This motivated us to perform first principles calculations based on density functional theory to unveil the piezoelectric properties (i.e., piezoelectric stress (e(11)) and piezoelectric strain (d(11)) coefficients) of these monolayer materials with chemical formula MX (where M = Be, Mg, Ca, Sr, Ba, Zr, Cd and X = S, Se, Te). We found that these two-dimensional materials have peculiar piezoelectric properties with d(11) coefficients 1 order of magnitude larger than those of commercially utilized bulk materials. A clear trend in their piezoelectric properties emerges, which |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
|
| |
Language |
|
Wos |
000379457000010 |
Publication Date |
2016-06-09 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1932-7447; 1932-7455 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.536 |
Times cited |
39 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), the Methusalem foundation of the Flemish government and the Bilateral program FWO-TUBITAK between Flanders and Turkey. We acknowledge the support from the Scientific and Technological Research Council of Turkey (TUBITAK-115F024). 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 (Cal-cUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. C.S. acknowledges the support from the Scientific and Technological Research Council of Turkey (TUBITAK-113F333) and the support from Anadolu University (BAP-1407F335, -1505F200), and the Turkish Academy of Sciences (TUBA-GEBIP). ; |
Approved |
Most recent IF: 4.536 |
|
| |
Call Number |
UA @ lucian @ c:irua:134948 |
Serial |
4222 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Fatima; Oguz, I.C.; Çakir, D.; Hossain, S.; Mohottige, R.; Gulseren, O.; Oncel, N. |
|
| |
Title |
On the structural and electronic properties of Ir-silicide nanowires on Si(001) surface |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
|
| |
Volume |
120 |
Issue |
120 |
Pages |
095303 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Iridium (Ir) modified Silicon (Si) (001) surface is studied with Scanning Tunneling Microscopy/Spectroscopy (STM/STS) and Density Functional Theory (DFT). A model for Ir-silicide nanowires based on STM images and ab-initio calculations is proposed. According to our model, the Ir adatom is on the top of the substrate dimer row and directly binds to the dimer atoms. I-V curves measured at 77K shows that the nanowires are metallic. DFT calculations confirm strong metallic nature of the nanowires. Published by AIP Publishing. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
|
| |
Language |
|
Wos |
000383978100030 |
Publication Date |
2016-09-01 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0021-8979; 1089-7550 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.068 |
Times cited |
7 |
Open Access |
|
|
| |
Notes |
; We gratefully acknowledge the NSF (Grant No. DMR-1306101) for financial support. 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. ; |
Approved |
Most recent IF: 2.068 |
|
| |
Call Number |
UA @ lucian @ c:irua:137132 |
Serial |
4359 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Mohammed, M.; Verhulst, A.S.; Verreck, D.; Van de Put, M.; Simoen, E.; Sorée, B.; Kaczer, B.; Degraeve, R.; Mocuta, A.; Collaert, N.; Thean, A.; Groeseneken, G. |
|
| |
Title |
Electric-field induced quantum broadening of the characteristic energy level of traps in semiconductors and oxides |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
|
| |
Volume |
120 |
Issue |
120 |
Pages |
245704 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
The trap-assisted tunneling (TAT) current in tunnel field-effect transistors (TFETs) is one of the crucial factors degrading the sub-60 mV/dec sub-threshold swing. To correctly predict the TAT currents, an accurate description of the trap is required. Since electric fields in TFETs typically reach beyond 10(6) V/cm, there is a need to quantify the impact of such high field on the traps. We use a quantum mechanical implementation based on the modified transfer matrix method to obtain the trap energy level. We present the qualitative impact of electric field on different trap configurations, locations, and host materials, including both semiconductors and oxides. We determine that there is an electric-field related trap level shift and level broadening. We find that these electric-field induced quantum effects can enhance the trap emission rates. Published by AIP Publishing. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
|
| |
Language |
|
Wos |
000392174000028 |
Publication Date |
2016-12-26 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0021-8979; 1089-7550 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.068 |
Times cited |
6 |
Open Access |
|
|
| |
Notes |
; This work was supported by imec's Industrial Affiliation Program. D. Verreck acknowledges the support of a PhD stipend from IWT-Vlaanderen. ; |
Approved |
Most recent IF: 2.068 |
|
| |
Call Number |
UA @ lucian @ c:irua:141481 |
Serial |
4593 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Berdiyorov, G.R.; Mortazavi, B.; Ahzi, S.; Peeters, F.M.; Khraisheh, M.K. |
|
| |
Title |
Effect of straining graphene on nanopore creation using Si cluster bombardment: A reactive atomistic investigation |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
|
| |
Volume |
120 |
Issue |
120 |
Pages |
225108 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Graphene nanosheets have recently received a revival of interest as a new class of ultrathin, high-flux, and energy-efficient sieving membranes because of their unique two-dimensional and atomically thin structure, good flexibility, and outstanding mechanical properties. However, for practical applications of graphene for advanced water purification and desalination technologies, the creation of well controlled, high-density, and subnanometer diameter pores becomes a key factor. Here, we conduct reactive force-field molecular dynamics simulations to study the effect of external strain on nanopore creation in the suspended graphene by bombardment with Si clusters. Depending on the size and energy of the clusters, different kinds of topography were observed in the graphene sheet. In all the considered conditions, tensile strain results in the creation of nanopores with regular shape and smooth edges. On the contrary, compressive strain increases the elastic response of graphene to irradiation that leads to the formation of net-like defective structures with predominantly carbon atom chains. Our findings show the possibility of creating controlled nanopores in strained graphene by bombardment with Si clusters. Published by AIP Publishing. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
|
| |
Language |
|
Wos |
000391535900022 |
Publication Date |
2016-12-15 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0021-8979; 1089-7550 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.068 |
Times cited |
10 |
Open Access |
|
|
| |
Notes |
; ; |
Approved |
Most recent IF: 2.068 |
|
| |
Call Number |
UA @ lucian @ c:irua:141451 |
Serial |
4554 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Verhulst, S.L.; de Backer, J.; Van Gaal, L.; de Backer, W.; Desager, K. |
|
| |
Title |
Adenotonsillectomy as first-line treatment for sleep-disordered breathing in obese children |
Type |
L1 Letter to the editor |
| |
Year |
2008 |
Publication |
American journal of respiratory and critical care medicine |
Abbreviated Journal |
Am J Resp Crit Care |
|
| |
Volume |
177 |
Issue |
12 |
Pages |
1399 |
|
| |
Keywords |
L1 Letter to the editor; Condensed Matter Theory (CMT); Laboratory Experimental Medicine and Pediatrics (LEMP) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
New York |
Editor |
|
|
| |
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1073-449x; 1535-4970 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
13.204 |
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 13.204; 2008 IF: 9.792 |
|
| |
Call Number |
UA @ lucian @ c:irua:68864 |
Serial |
59 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Matulis, A.; Peeters, F.M. |
|
| |
Title |
Appearance of enhanced Weiss oscillations in graphene: theory |
Type |
A1 Journal article |
| |
Year |
2007 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
75 |
Issue |
12 |
Pages |
125429,1-6 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
|
| |
Language |
|
Wos |
000245330200106 |
Publication Date |
2007-03-28 |
|
| |
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 |
65 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2007 IF: 3.172 |
|
| |
Call Number |
UA @ lucian @ c:irua:64294 |
Serial |
138 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Degani, M.H.; Farias, G.A.; Peeters, F.M. |
|
| |
Title |
Bound states and lifetime of an electron on a bulk helium surface |
Type |
A1 Journal article |
| |
Year |
2005 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
72 |
Issue |
12 |
Pages |
125408-125408,7 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We propose an effective potential for an excess electron near the helium liquid-vapor interface that takes into account the diffuseness of the liquid-vapor interface and the classical image potential. The splitting of the first two excited states of the excess electron bound to the helium liquid-vapor interface as a function of an external constant electric field applied perpendicular to the interface is in excellent agreement with recent experiments. The effect of a parallel magnetic field on the energy levels are calculated. Single-electron tunneling of the electron out of its surface state is studied as a function of the electric field applied to the system. We found that the tunneling time has a linear dependence on the electric field. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000232229400125 |
Publication Date |
2005-09-06 |
|
| |
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 |
|
Approved |
Most recent IF: 3.836; 2005 IF: 3.185 |
|
| |
Call Number |
UA @ lucian @ c:irua:94719 |
Serial |
251 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Zarenia, M.; Pereira, J.M.; Farias, G.A.; Peeters, F.M. |
|
| |
Title |
Chiral states in bilayer graphene : magnetic field dependence and gap opening |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
84 |
Issue |
12 |
Pages |
125451-125451,13 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
At the interface of electrostatic potential kink profiles, one-dimensional chiral states are found in bilayer graphene (BLG). Such structures can be created by applying an asymmetric potential to the upper and the lower layers of BLG. We found the following: (i) due to the strong confinement by the single kink profile, the unidirectional states are only weakly affected by a magnetic field; (ii) increasing the smoothness of the kink potential results in additional bound states, which are topologically different from those chiral states; and (iii) in the presence of a kink-antikink potential, the overlap between the oppositely moving chiral states results in the appearance of crossing and anticrossing points in the energy spectrum. This leads to the opening of tunable minigaps in the spectrum of the unidirectional topological states. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000295484300016 |
Publication Date |
2011-09-30 |
|
| |
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 |
50 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-VI), the Belgian Science Policy (IAP), 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; 2011 IF: 3.691 |
|
| |
Call Number |
UA @ lucian @ c:irua:92915 |
Serial |
358 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Wendelen, W.; Dzhurakhalov, A.A.; Peeters, F.M.; Bogaerts, A. |
|
| |
Title |
Combined molecular dynamics: continuum study of phase transitions in bulk metals under ultrashort pulsed laser irradiation |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
|
| |
Volume |
114 |
Issue |
12 |
Pages |
5652-5660 |
|
| |
Keywords |
A1 Journal article; Integrated Molecular Plant Physiology Research (IMPRES); Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
The phase transition processes induced by ultrashort, 100 fs pulsed laser irradiation of Au, Cu, and Ni are studied by means of a combined atomistic-continuum approach. A moderately low absorbed laser fluence range, from 200 to 600 J/m2 is considered to study phase transitions by means of a local and a nonlocal order parameter. At low laser fluences, the occurrence of layer-by-layer evaporation has been observed, which suggests a direct solid to vapor transition. The calculated amount of molten material remains very limited under the conditions studied, especially for Ni. Therefore, our results show that a kinetic equation that describes a direct solid to vapor transition might be the best approach to model laser-induced phase transitions by continuum models. Furthermore, the results provide more insight into the applicability of analytical superheating theories that were implemented in continuum models and help the understanding of nonequilibrium phase transitions. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
|
| |
Language |
|
Wos |
000275855600044 |
Publication Date |
2010-01-26 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.536 |
Times cited |
2 |
Open Access |
|
|
| |
Notes |
; A.D. gratefully acknowledges Professor M. Hot (ULB, Brussels) for the basic MD-code that was modified further for the laser-induced melting processes. W.W, and A.D. are thankful to Professor L.V. Zhigilei for useful discussions and advices. The calculations were performed on the CALCUA computing facility of the University of Antwerp. This work was supported by the Belgian Science Policy (IAP). ; |
Approved |
Most recent IF: 4.536; 2010 IF: 4.524 |
|
| |
Call Number |
UA @ lucian @ c:irua:81391 |
Serial |
402 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Seyed-Talebi, S.M.; Beheshtian, J.; Neek-Amal, M. |
|
| |
Title |
Doping effect on the adsorption of NH3 molecule onto graphene quantum dot : from the physisorption to the chemisorption |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
|
| |
Volume |
114 |
Issue |
12 |
Pages |
124307-7 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
The adsorption of ammonia molecule onto a graphene hexagonal flake, aluminum (Al) and boron (B) doped graphene flakes (graphene quantum dots, GQDs) are investigated using density functional theory. We found that NH3 molecule is absorbed to the hollow site through the physisorption mechanism without altering the electronic properties of GQD. However, the adsorption energy of NH3 molecule onto the Al- and B-doped GQDs increases with respect GQD resulting chemisorption. The adsorption of NH3 onto the Al-doped and B-doped GQDs makes graphene locally buckled, i.e., B-doped and Al-doped GQDs are not planar. The adsorption mechanism onto a GQD is different than that of graphene. This study reveals important features of the edge passivation and doping effects of the adsorption mechanism of external molecules onto the graphene quantum dots. (C) 2013 AIP Publishing LLC. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
|
| |
Language |
|
Wos |
000325391100057 |
Publication Date |
2013-09-26 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.068 |
Times cited |
10 |
Open Access |
|
|
| |
Notes |
; This work was supported by the EU-Marie Curie IIF Fellowship/299855 for M.-N.A. ; |
Approved |
Most recent IF: 2.068; 2013 IF: 2.185 |
|
| |
Call Number |
UA @ lucian @ c:irua:112201 |
Serial |
750 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Zarenia, M.; Pereira, J.M.; Peeters, F.M.; Farias, G.A. |
|
| |
Title |
Electrostatically confined quantum rings in bilayer graphene |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Nano letters |
Abbreviated Journal |
Nano Lett |
|
| |
Volume |
9 |
Issue |
12 |
Pages |
4088-4092 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We propose a new system where electron and hole states are electrostatically confined into a quantum ring in bilayer graphene. These structures can be created by tuning the gap of the graphene bilayer using nanostructured gates or by position-dependent doping. The energy levels have a magnetic field (B0) dependence that is strikingly distinct from that of usual semiconductor quantum rings. In particular, the eigenvalues are not invariant under a B0 ¨ −B0 transformation and, for a fixed total angular momentum index m, their field dependence is not parabolic, but displays two minima separated by a saddle point. The spectra also display several anticrossings, which arise due to the overlap of gate-confined and magnetically confined states. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Washington |
Editor |
|
|
| |
Language |
|
Wos |
000272395400023 |
Publication Date |
2009-08-25 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1530-6984;1530-6992; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
12.712 |
Times cited |
42 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 12.712; 2009 IF: 9.991 |
|
| |
Call Number |
UA @ lucian @ c:irua:80318 |
Serial |
1024 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Badalyan, S.M.; Peeters, F.M. |
|
| |
Title |
Enhancement of Coulomb drag in double-layer graphene structures by plasmons and dielectric background inhomogeneity |
Type |
A1 Journal article |
| |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
86 |
Issue |
12 |
Pages |
121405 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
The drag of massless fermions in graphene double-layer structures is investigated over a wide range of temperatures and interlayer separations. We show that the inhomogeneity of the dielectric background in such graphene structures, for experimentally relevant parameters, results in a significant enhancement of the drag resistivity. At intermediate temperatures the dynamical screening via plasmon-mediated drag enhances the drag resistivity and results in an upturn in its behavior at large interlayer separations. In a range of interlayer separations, corresponding to the crossover from strong to weak coupling of graphene layers, we find that the decrease of the drag resistivity with interlayer spacing is approximately quadratic. This dependence weakens below this range of interlayer spacing while for larger separations we find a cubic (quartic) dependence at intermediate (low) temperatures. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000309178100003 |
Publication Date |
2012-09-21 |
|
| |
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 |
; We acknowledge support from the Flemisch Science Foundation (FWO-Vl) and the Belgian Science Policy (BELSPO). ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
|
| |
Call Number |
UA @ lucian @ c:irua:101834 |
Serial |
1060 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Tadić, M.; Čukarić, N.; Arsoski, V.; Peeters, F.M. |
|
| |
Title |
Excitonic Aharonov-Bohm effect : unstrained versus strained type-I semiconductor nanorings |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
84 |
Issue |
12 |
Pages |
125307-125307,13 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We study how mechanical strain affects the magnetic field dependence of the exciton states in type-I semiconductor nanorings. Strain spatially separates the electron and hole in (In,Ga)As/GaAs nanorings which is beneficial for the occurrence of the excitonic Aharonov-Bohm (AB) effect. In narrow strained (In,Ga)As/GaAs nanorings the AB oscillations in the exciton ground-state energy are due to anticrossings with the first excited state. No such AB oscillations are found in unstrained GaAs/(Al,Ga)As nanorings irrespective of the ring width. Our results are obtained within an exact numerical diagonalization scheme and are shown to be accurately described by a two-level model with off-diagonal coupling t. The later transfer integral expresses the Coulomb coupling between states of electron-hole pairs. We also found that the oscillator strength for exciton recombination in (In,Ga)As/GaAs nanorings exhibits AB oscillations, which are superimposed on a linear increase with magnetic field. Our results agree qualitatively with recent experiments on the excitonic Aharonov-Bohm effect in type-I (In,Ga)As/GaAs nanorings. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000294777400013 |
Publication Date |
2011-09-09 |
|
| |
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 |
13 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Ministry of Education and Science of Serbia, the Flemish Science Foundation (FWO-Vl), the EU NoE: SANDiE, and the Belgian Science Policy (IAP). The calculations were performed on the CalcUA and Seastar computer clusters of the University of Antwerp. ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
|
| |
Call Number |
UA @ lucian @ c:irua:92326 |
Serial |
1122 |
|
| Permanent link to this record |
