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Records |
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Author |
Zhou, K.-G.; Vasu, K.S.; Cherian, C.T.; Neek-Amal, M.; Zhang, J.C.; Ghorbanfekr-Kalashami, H.; Huang, K.; Marshall, O.P.; Kravets, V.G.; Abraham, J.; Su, Y.; Grigorenko, A.N.; Pratt, A.; Geim, A.K.; Peeters, F.M.; Novoselov, K.S.; Nair, R.R. |
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Title  |
Electrically controlled water permeation through graphene oxide membranes |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Nature |
Abbreviated Journal |
Nature |
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| |
Volume |
559 |
Issue |
7713 |
Pages |
236-+ |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Controlled transport of water molecules through membranes and capillaries is important in areas as diverse as water purification and healthcare technologies(1-7). Previous attempts to control water permeation through membranes (mainly polymeric ones) have concentrated on modulating the structure of the membrane and the physicochemical properties of its surface by varying the pH, temperature or ionic strength(3,8). Electrical control over water transport is an attractive alternative; however, theory and simulations(9-14) have often yielded conflicting results, from freezing of water molecules to melting of ice(14-16) under an applied electric field. Here we report electrically controlled water permeation through micrometre-thick graphene oxide membranes(17-21). Such membranes have previously been shown to exhibit ultrafast permeation of water(17,22) and molecular sieving properties(18,21), with the potential for industrial-scale production. To achieve electrical control over water permeation, we create conductive filaments in the graphene oxide membranes via controllable electrical breakdown. The electric field that concentrates around these current-carrying filaments ionizes water molecules inside graphene capillaries within the graphene oxide membranes, which impedes water transport. We thus demonstrate precise control of water permeation, from ultrafast permeation to complete blocking. Our work opens up an avenue for developing smart membrane technologies for artificial biological systems, tissue engineering and filtration. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000438240900052 |
Publication Date |
2018-07-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0028-0836 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
40.137 |
Times cited |
216 |
Open Access |
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Notes |
; This work was supported by the Royal Society, Engineering and Physical Sciences Research Council, UK (EP/K016946/1, EP/N013670/1 and EP/P00119X/1), British Council (award reference number 279336045), European Research Council (contract 679689) and Lloyd's Register Foundation. We thank J. Waters for assisting with X-ray measurements and G. Yu for electrical measurements. ; |
Approved |
Most recent IF: 40.137 |
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Call Number |
UA @ lucian @ c:irua:152420UA @ admin @ c:irua:152420 |
Serial |
5096 |
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| Permanent link to this record |
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Author |
Ibrahim, I.S.; Schweigert, V.A.; Peeters, F.M. |
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Title |
Electrical transport through magnetic barriers |
Type |
A1 Journal article |
| |
Year |
1998 |
Publication |
Physica. E: Low-dimensional systems and nanostructures |
Abbreviated Journal |
Physica E |
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| |
Volume |
2 |
Issue |
|
Pages |
899-903 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
North-Holland |
Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000075383500184 |
Publication Date |
2002-07-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1386-9477; |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
2.221 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 2.221; 1998 IF: NA |
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Call Number |
UA @ lucian @ c:irua:24187 |
Serial |
896 |
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Author |
Dong, H.M.; Xu, W.; Peeters, F.M. |
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Title |
Electrical generation of terahertz blackbody radiation from graphene |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Optics express |
Abbreviated Journal |
Opt Express |
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| |
Volume |
26 |
Issue |
19 |
Pages |
24621-24626 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Recent experimental work on the application of graphene for novel illumination motivated us to present a theoretical study of the blackbody radiation emission from a freely suspended graphene driven by a dc electric field. Strong terahertz (THz) emission, with intensity up to mW/cm(2), can be generated with increasing electric field strength due to the heating of electrons in graphene. We show that the intensity of the THz emission generated electrically from graphene depends rather sensitively on the lattice temperature in relatively weak electric fields, whereas it is less sensitive to the lattice temperature in relative strong electric fields. Our study highlights the practical application of graphene as intense THz source where the radiation is generated electrically. (C) 2018 Optical Society of America under the terms of the OSA Open Access Publishing Agreement |
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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 |
000444705000026 |
Publication Date |
2018-09-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1094-4087 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.307 |
Times cited |
14 |
Open Access |
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Notes |
; National Natural Science Foundation of China (NSFC) (11604380, 11574319); Center of Science and Technology of Hefei Academy of Science (2016FXZY002); Department of Science and Technology of Yunnan Province (2016FC001). ; |
Approved |
Most recent IF: 3.307 |
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| |
Call Number |
UA @ lucian @ c:irua:153632UA @ admin @ c:irua:153632 |
Serial |
5095 |
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| Permanent link to this record |
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Author |
Van Pottelberge, R.; Van Duppen, B.; Peeters, F.M. |
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Title |
Electrical dipole on gapped graphene : bound states and atomic collapse |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
98 |
Issue |
16 |
Pages |
165420 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We investigate the energy spectrum, wave functions, and local density of states of an electrical dipole placed on a sheet of gapped graphene as function of the charge strength Z alpha for different sizes of the dipole and for different regularization parameters. The dipole is modeled as consisting of a positive and negative charge. Bound states are found within the gap region with some energy levels that anticross and others that cross as function of the impurity strength Z alpha. The anticrossings are more pronounced and move to higher charges Z alpha when the length of the dipole decreases. These energy levels turn into atomic collapse states when they enter the positive (or negative) energy continuum. A smooth transition from the single-impurity behavior to the dipole one is observed: The states diving towards the continuum in the single-impurity case are gradually replaced by a series of anticrossings that represent a continuation of the diving states in the single-impurity case. By studying the local density of states at the edge of the dipole we show how the series of anticrossings persist in the positive and negative continuum. |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000447302700010 |
Publication Date |
2018-10-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
8 |
Open Access |
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Notes |
; We thank Matthias Van der Donck for fruitful discussions. This work was supported by the Research Foundation of Flanders (FWO-V1) through an aspirant research grant for R.V.P. and a postdoctoral grant for B.V.D. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:154728UA @ admin @ c:irua:154728 |
Serial |
5094 |
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Author |
Sofo, J.O.; Suarez, A.M.; Usaj, G.; Cornaglia, P.S.; Hernández-Nieves, A.D.; Balseiro, C.A. |
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Title |
Electrical control of the chemical bonding of fluorine on graphene |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
83 |
Issue |
8 |
Pages |
081411 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We study the electronic structure of diluted F atoms chemisorbed on graphene using density functional theory calculations. We show that the nature of the chemical bonding of a F atom adsorbed on top of a C atom in graphene strongly depends on carrier doping. In neutral samples the F impurities induce a sp(3)-like bonding of the C atom below, generating a local distortion of the hexagonal lattice. As the graphene is electron-doped, the C atom retracts back to the graphene plane and for high doping (10(14) cm(-2)) its electronic structure corresponds to a nearly pure sp(2) configuration. We interpret this sp(3)-sp(2) doping-induced crossover in terms of a simple tight-binding model and discuss the physical consequences of this change. |
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Corporate Author |
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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 |
000287484800005 |
Publication Date |
2011-02-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
65 |
Open Access |
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Notes |
; J.O.S. and A. S. acknowledge support from the Donors of the American Chemical Society Petroleum Research Fund and use of facilities at the Penn State Materials Simulation Center. G. U., P. S. C., A. D. H., and C. A. B. acknowledge financial support from PICTs 06-483 and 2008-2236 from ANPCyT and PIP 11220080101821 from CONICET, Argentina. A. D. H. acknowledges support from the Flemish Science Foundation (FWO). ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
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Call Number |
UA @ lucian @ c:irua:105600 |
Serial |
892 |
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| Permanent link to this record |
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Author |
Peeters, F.M.; Vasilopoulos, P. |
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Title |
Electrical and thermal-properties of a 2-dimensional electron-gas in a one-dimensional periodic potential |
Type |
A1 Journal article |
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Year |
1992 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
46 |
Issue |
8 |
Pages |
4667-4680 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We investigate the influence of a periodic weak modulation along the x direction on the electrical and thermal properties of a two-dimensional electron gas in the presence of a perpendicular magnetic field. The modulation lifts the degeneracy of the Landau levels and leads to one-dimensional magnetic bands whose bandwidth oscillates as a function of the magnetic field. At weak magnetic fields this gives rise to the Weiss oscillations in the magnetoresistance, discovered recently, which have a very weakly temperature-dependent amplitude and a period proportional to square-root n(e), when n(e) is the electron density. Diffusion-current contributions, proportional to the square of the bandwidth, dominate rho(xx), and collisional contributions, varying approximately as the square of the density of states, dominate rho(yy). The result is that rho(xx) and rho(yy) oscillate out of phase as observed. Asymptotic analytical expressions are presented for the conductivity tensor. Similar oscillations, of much smaller amplitude, occur in the thermodynamic quantities, such as the magnetization, the susceptibility, and the specific heat. We also predict oscillations in the Hall resistance, the cyclotron resonance position, the linewidth, as well as in the thermal conductivity and thermopower. The components of the thermal-resistance tensor have a magnetic-field dependence similar to that of the electrical-resistivity tensor. |
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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 |
A1992JK72500032 |
Publication Date |
2002-07-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0163-1829;1095-3795; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.736 |
Times cited |
148 |
Open Access |
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Notes |
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Approved |
INSTRUMENTS & INSTRUMENTATION 31/56 Q3 # NUCLEAR SCIENCE & TECHNOLOGY 9/32 Q2 # PHYSICS, PARTICLES & FIELDS 24/28 Q4 # SPECTROSCOPY 28/43 Q3 # |
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Call Number |
UA @ lucian @ c:irua:103028 |
Serial |
889 |
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Author |
Karavolas, V.C.; Triberis, G.P.; Peeters, F.M. |
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Title |
Electrical and thermal transport of composite fermions |
Type |
A1 Journal article |
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Year |
1997 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
56 |
Issue |
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Pages |
15289-15298 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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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 |
000071043700067 |
Publication Date |
2002-07-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0163-1829;1095-3795; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
11 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 1997 IF: NA |
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Call Number |
UA @ lucian @ c:irua:19272 |
Serial |
891 |
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| Permanent link to this record |
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Author |
Peeters, F.M.; Vasilopoulos, P. |
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Title |
Electrical and thermal properties of a two-dimensional electron gas in a one-dimensional periodic potential |
Type |
A1 Journal article |
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Year |
1992 |
Publication |
Physical review: B |
Abbreviated Journal |
Phys Rev B |
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Volume |
46 |
Issue |
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Pages |
4667-4680 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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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 |
A1992JK72500032 |
Publication Date |
2002-07-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0163-1829 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.736 |
Times cited |
148 |
Open Access |
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Notes |
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Approved |
INSTRUMENTS & INSTRUMENTATION 31/56 Q3 # NUCLEAR SCIENCE & TECHNOLOGY 9/32 Q2 # PHYSICS, PARTICLES & FIELDS 24/28 Q4 # SPECTROSCOPY 28/43 Q3 # |
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Call Number |
UA @ lucian @ c:irua:2998 |
Serial |
890 |
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Author |
Fernandez, M.S.; Peeters, F.M.; Neek-Amal, M. |
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Title |
Electric-field-induced structural changes in water confined between two graphene layers |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
94 |
Issue |
4 |
Pages |
045436 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
An external electric field changes the physical properties of polar liquids due to the reorientation of their permanent dipoles. Using molecular dynamics simulations, we predict that an in-plane electric field applied parallel to the channel polarizes water molecules which are confined between two graphene layers, resulting in distinct ferroelectricity and electrical hysteresis. We found that electric fields alter the in-plane order of the hydrogen bonds: Reversing the electric field does not restore the system to the nonpolar initial state, instead a residual dipole moment remains in the system. The square-rhombic structure of 2D ice is transformed into two rhombic-rhombic structures. Our study provides insights into the ferroelectric state of water when confined in nanochannels and shows how this can be tuned by an electric field. |
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Corporate Author |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000381485200005 |
Publication Date |
2016-07-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
31 |
Open Access |
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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 |
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Call Number |
UA @ lucian @ c:irua:144684 |
Serial |
4649 |
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Author |
Nasr Esfahani, D.; Covaci, L.; Peeters, F.M. |
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Title |
Electric-field-induced shift of the Mott metal-insulator transition in thin films |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
85 |
Issue |
8 |
Pages |
085110-085110,8 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The ground-state properties of a paramagnetic Mott insulator at half-filling are investigated in the presence of an external electric field using the inhomogeneous Gutzwiller approximation for a single-band Hubbard model in a slab geometry. We find that the metal-insulator transition is shifted toward higher Hubbard repulsions by applying an electric field perpendicular to the slab. The main reason is the accumulation of charges near the surface. The spatial distribution of site-dependent quasiparticle weight shows that it is maximal in a few layers beneath the surface, while the central sites where the field is screened have a very low quasiparticle weight. Our results show that above a critical-field value, states near the surface will be metallic, while the bulk quasiparticle weight is extremely suppressed but never vanishing, even for large Hubbard repulsions above the bulk zero-field critical value. Below the critical-field value, our results hint toward an insulating state in which the electric field is totally screened and the slab is again at half-filling. |
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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 |
000300240100002 |
Publication Date |
2012-02-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
3 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen) and the Belgian Science Policy (IAP). ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
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Call Number |
UA @ lucian @ c:irua:97208 |
Serial |
884 |
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| Permanent link to this record |
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Author |
Neek-Amal, M.; Rashidi, R.; Nair, R.R.; Neilson, D.; Peeters, F.M. |
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Title |
Electric-field-induced emergent electrical connectivity in graphene oxide |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
99 |
Issue |
11 |
Pages |
115425 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Understanding the appearance of local electrical connectivity in liquid filled layered graphene oxide subjected to an external electric field is important to design electrically controlled smart permeable devices and also to gain insight into the physics behind electrical effects on confined water permeation. Motivated by recent experiments [K. G. Zhou et al. Nature (London) 559, 236 (2018)], we introduce a new model with random percolating paths for electrical connectivity in micron thick water filled layered graphene oxide, which mimics parallel resistors connected across the top and bottom electrodes. We find that a strong nonuniform radial electric field of the order similar to 10-50 mV/nm can be induced between layers depending on the current flow through the formed conducting paths. The maxima of the induced fields are not necessarily close to the electrodes and may be localized in the middle region of the layered material. The emergence of electrical connectivity and the associated electrical effects have a strong influence on the surrounding fluid in terms of ionization and wetting which subsequently determines the permeation properties. |
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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 |
000461960100001 |
Publication Date |
2019-03-19 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.836 |
Times cited |
3 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program. ; |
Approved |
Most recent IF: 3.836 |
|
| |
Call Number |
UA @ admin @ c:irua:158534 |
Serial |
5206 |
|
| Permanent link to this record |
| |
|
| |
|
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 |
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. |
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| |
Address |
|
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| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
|
| |
Language |
|
Wos |
000373572700002 |
Publication Date |
2016-04-09 |
|
| |
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 |
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 |
| |
|
| |
|
Author |
Li, L.L.; Partoens, B.; Xu, W.; Peeters, F.M. |
|
| |
Title |
Electric-field modulation of linear dichroism and Faraday rotation in few-layer phosphorene |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
2D materials |
Abbreviated Journal |
2D Mater |
|
| |
Volume |
6 |
Issue |
1 |
Pages |
015032 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Electro-optical modulators, which use an electric voltage (or an electric field) to modulate a beam of light, are essential elements in present-day telecommunication devices. Using a self-consistent tight-binding approach combined with the standard Kubo formula, we show that the optical conductivity and the linear dichroism of few-layer phosphorene can be modulated by a perpendicular electric field. We find that the field-induced charge screening plays a significant role in modulating the optical conductivity and the linear dichroism. Distinct absorption peaks are induced in the conductivity spectrum due to the strong quantum confinement along the out-of-plane direction and to the field-induced forbidden-to-allowed transitions. The field modulation of the linear dichroism becomes more pronounced with increasing number of phosphorene layers. We also show that the Faraday rotation is present in few-layer phosphorene even in the absence of an external magnetic field. This optical Hall effect is induced by the reduced lattice symmetry of few-layer phosphorene. The Faraday rotation is greatly influenced by the field-induced charge screening and is strongly dependent on the strength of perpendicular electric field and on the number of phosphorene layers. |
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| |
Address |
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Corporate Author |
|
Thesis |
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| |
Publisher |
|
Place of Publication |
|
Editor |
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| |
Language |
|
Wos |
000454321100002 |
Publication Date |
2018-11-28 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2053-1583 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
6.937 |
Times cited |
19 |
Open Access |
|
|
| |
Notes |
; This work was financially supported by the Flemish Science Foundation (FWO-Vl) and by the FLAG-ERA project TRANS-2D-TMD. ; |
Approved |
Most recent IF: 6.937 |
|
| |
Call Number |
UA @ admin @ c:irua:156776 |
Serial |
5207 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Borza, S.; Peeters, F.M.; Vasilopoulos, P.; Papp, G. |
|
| |
Title |
Electric-field manipulation of spin states in confined non-magnetic/magnetic heterostructures |
Type |
A1 Journal article |
| |
Year |
2007 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
|
| |
Volume |
19 |
Issue |
17 |
Pages |
176221,1-10 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
London |
Editor |
|
|
| |
Language |
|
Wos |
000246556400033 |
Publication Date |
2007-04-11 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.649 |
Times cited |
4 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 2.649; 2007 IF: 1.886 |
|
| |
Call Number |
UA @ lucian @ c:irua:64758 |
Serial |
885 |
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| 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. |
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| |
Address |
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| |
Corporate Author |
|
Thesis |
|
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| |
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 |
Avetisyan, A.A.; Partoens, B.; Peeters, F.M. |
|
| |
Title |
Electric-field control of the band gap and Fermi energy in graphene multilayers by top and back gates |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Physical review : B : solid state |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
80 |
Issue |
19 |
Pages |
195401,1-195401,11 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
It is known that a perpendicular electric field applied to multilayers of graphene modifies the electronic structure near the K point and may induce an energy gap in the electronic spectrum which is tunable by the gate voltage. Here we consider a system of graphene multilayers in the presence of a positively charged top and a negatively charged back gate to control independently the density of electrons on the graphene layers and the Fermi energy of the system. The band structure of three- and four-layer graphene systems in the presence of the top and back gates is obtained using a tight-binding approach. A self-consistent Hartree approximation is used to calculate the induced charges on the different graphene layers. We predict that for opposite and equal charges on the top and bottom layers an energy gap is opened at the Fermi level. For an even number of layers this gap is larger than in the case of an odd number of graphene layers. We find that the circular asymmetry of the spectrum, which is a consequence of the trigonal warping, changes the size of the induced electronic gap, even when the total density of the induced electrons on the graphene layers is low. |
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| |
Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
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| |
Language |
|
Wos |
000272311000087 |
Publication Date |
2009-11-10 |
|
| |
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 |
106 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2009 IF: 3.475 |
|
| |
Call Number |
UA @ lucian @ c:irua:80315 |
Serial |
883 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Li, L.L.; Moldovan, D.; Xu, W.; Peeters, F.M. |
|
| |
Title |
Electric-and magnetic-field dependence of the electronic and optical properties of phosphorene quantum dots |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
|
| |
Volume |
28 |
Issue |
8 |
Pages |
085702 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Recently, black phosphorus quantum dots were fabricated experimentally. Motivated by these experiments, we theoretically investigate the electronic and optical properties of rectangular phosphorene quantum dots (RPQDs) in the presence of an in-plane electric field and a perpendicular magnetic field. The energy spectra and wave functions of RPQDs are obtained numerically using the tight-binding approach. We find edge states within the band gap of the RPQD which are well separated from the bulk states. In an undoped RPQD and for in-plane polarized light, due to the presence of well-defined edge states, we find three types of optical transitions which are between the bulk states, between the edge and bulk states, and between the edge states. The electric and magnetic fields influence the bulk-to-bulk, edge-to-bulk, and edge-to- edge transitions differently due to the different responses of bulk and edge states to these fields. |
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| |
Address |
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| |
Corporate Author |
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Thesis |
|
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| |
Publisher |
|
Place of Publication |
Bristol |
Editor |
|
|
| |
Language |
|
Wos |
000403100700001 |
Publication Date |
2017-01-03 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0957-4484 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.44 |
Times cited |
32 |
Open Access |
|
|
| |
Notes |
; This work was financially supported by the China Scholarship Council (CSC), the Flemish Science Foundation (FWO-Vl), the National Natural Science Foundation of China (Grant Nos. 11304316 and 11574319), and by the Chinese Academy of Sciences (CAS). ; |
Approved |
Most recent IF: 3.44 |
|
| |
Call Number |
UA @ lucian @ c:irua:144325 |
Serial |
4648 |
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| Permanent link to this record |
| |
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| |
|
Author |
Nikolaev, A.V.; Michel, K.H. |
|
| |
Title |
Electric quadrupole interactions and the γ-α phase transition in Ce: the role of conduction electrons |
Type |
A1 Journal article |
| |
Year |
2000 |
Publication |
European physical journal : B : condensed matter and complex systems |
Abbreviated Journal |
Eur Phys J B |
|
| |
Volume |
17 |
Issue |
|
Pages |
15-32 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
|
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| |
Address |
|
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| |
Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Berlin |
Editor |
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| |
Language |
|
Wos |
000089339900004 |
Publication Date |
2003-05-15 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1434-6028; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.461 |
Times cited |
8 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.461; 2000 IF: 2.077 |
|
| |
Call Number |
UA @ lucian @ c:irua:34338 |
Serial |
888 |
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| Permanent link to this record |
| |
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| |
|
Author |
Ao, Z.M.; Peeters, F.M. |
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| |
Title |
Electric field: A catalyst for hydrogenation of graphene |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
|
| |
Volume |
96 |
Issue |
25 |
Pages |
3 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Due to the importance of hydrogenation of graphene for several applications, we present an alternative approach to hydrogenate graphene based on density functional theory calculations. We find that a negative perpendicular electric field F can act as a catalyst to reduce the energy barrier for molecular H<sub>2</sub> dissociative adsorption on graphene. Increasing -F above 0.02 a.u. (1 a.u.=5.14×10<sup>11</sup> V/m), this hydrogenation process occurs smoothly without any potential barrier. |
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| |
Address |
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| |
Corporate Author |
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Thesis |
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| |
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
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| |
Language |
|
Wos |
000279168100052 |
Publication Date |
2010-06-23 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.411 |
Times cited |
88 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ; |
Approved |
Most recent IF: 3.411; 2010 IF: 3.841 |
|
| |
Call Number |
UA @ lucian @ c:irua:83924 |
Serial |
881 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Arsoski, V.; Tadic, M.; Peeters, F.M. |
|
| |
Title |
Electric field tuning of the optical excitonic Aharonov-Bohm effect in nanodots grown by droplet epitaxy |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Physica scripta |
Abbreviated Journal |
Phys Scripta |
|
| |
Volume |
T157 |
Issue |
|
Pages |
014002 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Neutral excitons in axially symmetric GaAs nanodots embedded in an (Al, Ga) As matrix, which are formed by the droplet epitaxy technique, are investigated theoretically. An electric field perpendicular to the nanodot base results in both a vertical and an in-plane exciton polarization, which is beneficial for the appearance of the excitonic Aharonov-Bohm effect. In the range of low magnetic fields (below 5 Tesla), we found that the bright and dark exciton states can cross twice. This results in oscillations of the photoluminescence intensity with magnetic field, which are a striking manifestation of the optical excitonic Aharonov-Bohm effect. |
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| |
Address |
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| |
Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Stockholm |
Editor |
|
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| |
Language |
|
Wos |
000332504600003 |
Publication Date |
2013-11-15 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0031-8949 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
1.28 |
Times cited |
|
Open Access |
|
|
| |
Notes |
; This work was supported by the EU Network of Excellence: SANDiE, the Ministry of Education and Science of Serbia, the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ; |
Approved |
Most recent IF: 1.28; 2013 IF: 1.296 |
|
| |
Call Number |
UA @ lucian @ c:irua:128901 |
Serial |
4594 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Avetisyan, A.A.; Partoens, B.; Peeters, F.M. |
|
| |
Title |
Electric field tuning of the band gap in graphene multilayers |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Physical review : B : solid state |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
79 |
Issue |
3 |
Pages |
035421,1-035421,7 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
A perpendicular electric field applied to multilayers of graphene modifies the electronic structure near the K point and may induce an energy gap in the electronic spectrum. This gap is tunable by the gate voltage and its size depends on the number of layers. We use a tight-binding approach to calculate the band structure and include a self-consistent calculation in order to obtain the density of charge carriers. Results are presented for systems consisting of three and four layers of graphene. The effect of the circular asymmetry of the band structure on the gap is critically examined. |
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| |
Address |
|
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| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
|
| |
Language |
|
Wos |
000262978200119 |
Publication Date |
2009-01-30 |
|
| |
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 |
106 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2009 IF: 3.475 |
|
| |
Call Number |
UA @ lucian @ c:irua:75984 |
Serial |
887 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Avetisyan, A.A.; Partoens, B.; Peeters, F.M. |
|
| |
Title |
Electric field tuning of the band gap in four layers of graphene with different stacking order |
Type |
P1 Proceeding |
| |
Year |
2012 |
Publication |
Proceedings of the Society of Photo-optical Instrumentation Engineers
T2 – Conference on Photonics and Micro and Nano-structured Materials, JUN 28-30, 2011, Yerevan, ARMENIA |
Abbreviated Journal |
|
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| |
Volume |
|
Issue |
|
Pages |
84140-84148 |
|
| |
Keywords |
P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We investigated the effect of different stacking order of the four graphene layer system on the induced band gap when positively charged top and negatively charged back gates are applied to the system. A tight-binding approach within a self-consistent Hartree approximation is used to calculate the induced charges on the different graphene layers. We show that the electric field does not open an energy gap if the multilayer graphene system contains a trilayer part with the ABA Bernal stacking. |
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| |
Address |
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| |
Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
|
Editor |
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| |
Language |
|
Wos |
000303856600012 |
Publication Date |
2012-01-20 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
8414 |
Series Issue |
|
Edition |
|
|
| |
ISSN |
|
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), and the BelgianScience Policy (IAP). One of us (A.A.A.) was supported by a fellowship from the Belgian Federal Science Policy Office (BELSPO). ; |
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:113046 |
Serial |
886 |
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| Permanent link to this record |
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Author |
Ao, Z.M.; Peeters, F.M. |
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| |
Title |
Electric field activated hydrogen dissociative adsorption to nitrogen-doped graphene |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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| |
Volume |
114 |
Issue |
34 |
Pages |
14503-14509 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Graphane, hydrogenated graphene, was very recently synthesized and predicted to have great potential applications. In this work, we propose a new promising approach for hydrogenation of graphene based on density functional theory (DFT) calculations through the application of a perpendicular electric field after substitutionally doping by nitrogen atoms. These DFT calculations show that the doping by nitrogen atoms into the graphene layer and applying an electrical field normal to the graphene surface induce dissociative adsorption of hydrogen. The dissociative adsorption energy barrier of an H2 molecule on a pristine graphene layer changes from 2.7 to 2.5 eV on N-doped graphene, and to 0.88 eV on N-doped graphene under an electric field of 0.005 au. When increasing the electric field above 0.01 au, the reaction barrier disappears. Therefore, N doping and applying an electric field have catalytic effects on the hydrogenation of graphene, which can be used for hydrogen storage purposes and nanoelectronic applications. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000281129100027 |
Publication Date |
2010-08-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1932-7447;1932-7455; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.536 |
Times cited |
110 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-VI) and the Belgian Science Policy (IAP). ; |
Approved |
Most recent IF: 4.536; 2010 IF: 4.524 |
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| |
Call Number |
UA @ lucian @ c:irua:84588 |
Serial |
882 |
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| Permanent link to this record |
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Author |
Yampolskii, S.V.; Baelus, B.J.; Peeters, F.M.; Kolacek, J. |
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Title |
Electric charges in superconducting mesoscopic samples |
Type |
A1 Journal article |
| |
Year |
2002 |
Publication |
Czechoslovak journal of physics
T2 – 11th Czech and Slovak Conference on Magnetism (CSMAG 01), AUG 20-23, 2001, KOSICE, SLOVAKIA |
Abbreviated Journal |
Czech J Phys |
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| |
Volume |
52 |
Issue |
2 |
Pages |
303-306 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The distribution of the electric charge density in mesoscopic superconducting disks and cylinders is studied within the phenomenological Ginzburg-Landau approach. We found that, even in the Meissner state the mesoscopic sample exhibits a non-uniform charge distribution such that a region near the sample edge becomes negatively charged. When vortices are inside the sample there is a superposition of the negative charge located at the vortex core and this Meissner charge, and, as a result, the charge at the sample edge changes sign as a function of the applied magnetic field. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000174955600046 |
Publication Date |
2002-12-28 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0011-4626; |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
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Times cited |
|
Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:103374 |
Serial |
880 |
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| Permanent link to this record |
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Author |
Cabral, L.R.E.; Peeters, F.M. |
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Title |
Elastic modes of vortex configurations in thin disks |
Type |
A1 Journal article |
| |
Year |
2004 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
70 |
Issue |
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Pages |
214522,1-13 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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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 |
000226111400123 |
Publication Date |
2004-12-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
6 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2004 IF: 3.075 |
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Call Number |
UA @ lucian @ c:irua:69399 |
Serial |
879 |
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Author |
Van de Put, M.L.; Sorée, B.; Magnus, W. |
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Title |
Efficient solution of the Wigner-Liouville equation using a spectral decomposition of the force field |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Journal of computational physics |
Abbreviated Journal |
J Comput Phys |
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Volume |
350 |
Issue |
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Pages |
314-325 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The Wigner-Liouville equation is reformulated using a spectral decomposition of the classical force field instead of the potential energy. The latter is shown to simplify the Wigner-Liouville kernel both conceptually and numerically as the spectral force Wigner-Liouville equation avoids the numerical evaluation of the highly oscillatory Wigner kernel which is nonlocal in both position and momentum. The quantum mechanical evolution is instead governed by a term local in space and non-local in momentum, where the non locality in momentum has only a limited range. An interpretation of the time evolution in terms of two processes is presented; a classical evolution under the influence of the averaged driving field, and a probability-preserving quantum-mechanical generation and annihilation term. Using the inherent stability and reduced complexity, a direct deterministic numerical implementation using Chebyshev and Fourier pseudo-spectral methods is detailed. For the purpose of illustration, we present results for the time evolution of a one-dimensional resonant tunneling diode driven out of equilibrium. (C) 2017 Elsevier Inc. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York |
Editor |
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Language |
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Wos |
000413379000016 |
Publication Date |
2017-09-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0021-9991 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.744 |
Times cited |
5 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 2.744 |
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Call Number |
UA @ lucian @ c:irua:146630 |
Serial |
4780 |
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| Permanent link to this record |
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Author |
Covaci, L.; Peeters, F.M.; Berciu, M. |
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Title |
Efficient numerical approach to inhomogeneous superconductivity: the Chebyshev-Bogoliubov-de Gennes method |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
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Volume |
105 |
Issue |
16 |
Pages |
167006,1-167006,4 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We propose a highly efficient numerical method to describe inhomogeneous superconductivity by using the kernel polynomial method in order to calculate the Greens functions of a superconductor. Broken translational invariance of any type (impurities, surfaces, or magnetic fields) can be easily incorporated. We show that limitations due to system size can be easily circumvented and therefore this method opens the way for the study of scenarios and/or geometries that were unaccessible before. The proposed method is highly efficient and amenable to large scale parallel computation. Although we only use it in the context of superconductivity, it is applicable to other inhomogeneous mean-field theories. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000282816300018 |
Publication Date |
2010-10-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0031-9007;1079-7114; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.462 |
Times cited |
80 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), CIfAR, and NSERC. Discussions with Frank Marsiglio are gratefully acknowledged. ; |
Approved |
Most recent IF: 8.462; 2010 IF: 7.622 |
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Call Number |
UA @ lucian @ c:irua:84899 |
Serial |
875 |
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Author |
Gjerding, M.N.; Cavalcante, L.S.R.; Chaves, A.; Thygesen, K.S. |
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Title |
Efficient Ab initio modeling of dielectric screening in 2D van der Waals materials : including phonons, substrates, and doping |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Journal Of Physical Chemistry C |
Abbreviated Journal |
J Phys Chem C |
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Volume |
124 |
Issue |
21 |
Pages |
11609-11616 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
The quantum electrostatic heterostructure (QEH) model allows for efficient computation of the dielectric screening properties of layered van der Waals (vdW)-bonded heterostructures in terms of the dielectric functions of the individual two-dimensional (2D) layers. Here, we extend the QEH model by including (1) contributions to the dielectric function from infrared active phonons in the 2D layers, (2) screening from homogeneous bulk substrates, and (3) intraband screening from free carriers in doped 2D semiconductor layers. We demonstrate the potential of the extended QEH model by calculating the dispersion of coupled phonons in multilayer stacks of hexagonal boron-nitride (hBN), the strong hybridization of plasmons and optical phonons in graphene/hBN heterostructures, the effect of substrate screening on the exciton series of monolayer MoS2, and the properties of hyperbolic plasmons in a doped phosphorene sheet. The new QEH code is distributed as a Python package with a simple command line interface and a comprehensive library of dielectric building blocks for the most common 2D materials, providing an efficient open platform for dielectric modeling of realistic vdW heterostructures. |
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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 |
000614615900022 |
Publication Date |
2020-05-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1932-7447; 1932-7455 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.7 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 3.7; 2020 IF: 4.536 |
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Call Number |
UA @ admin @ c:irua:176187 |
Serial |
7852 |
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Author |
Hernández, A.D.; Baelus, B.J.; Domínguez, D.; Peeters, F.M. |
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Title |
Effects of thermal fluctuations on the magnetic behavior of mesoscopic superconductors |
Type |
A1 Journal article |
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Year |
2005 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
71 |
Issue |
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Pages |
214524,1-9 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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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 |
000230276600103 |
Publication Date |
2005-07-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
14 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2005 IF: 3.185 |
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Call Number |
UA @ lucian @ c:irua:69410 |
Serial |
873 |
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Author |
Shi, J.M.; Koenraad, P.M.; van de Stadt, A.F.W.; Peeters, F.M.; Devreese, J.T.; Wolter, J.H. |
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Title |
Effects of the DX centers on electronic structure of a δ-doped quantum barrier |
Type |
P3 Proceeding |
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Year |
1996 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
2355-2358 |
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Keywords |
P3 Proceeding; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
World Scientific |
Place of Publication |
Singapore |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ lucian @ c:irua:15807 |
Serial |
872 |
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| Permanent link to this record |
