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Author |
Tomecka, D.M.; Kamieniarz, G.; Partoens, B.; Peeters, F.M. |
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Title |
Ground state configurations and melting of two-dimensional non-uniformly charged classical clusters |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
21 |
Issue |
15 |
Pages |
155301,1-155301,7 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract  |
We consider classical two-dimensional (2D) Coulomb clusters consisting of two species containing five particles with charge q1 and five with charge q2, respectively. Using Monte Carlo and molecular dynamics (MD) simulations, we investigated the ground state configurations as well as radial and angular displacements of particles as a function of temperature and their dependence on the ratio q = q2/q1. We found new configurations and a new multi-step melting behavior for q sufficiently different from the uniform charge limit q = 1. |
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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 |
000264708600007 |
Publication Date |
2009-03-18 |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0953-8984;1361-648X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.649 |
Times cited |
2 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.649; 2009 IF: 1.964 |
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Call Number |
UA @ lucian @ c:irua:76412 |
Serial |
1384 |
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Author |
Szaszko-Bogar, V.; Peeters, F.M.; Foeldi, P. |
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Title |
Oscillating spin-orbit interaction in two-dimensional superlattices : sharp transmission resonances and time-dependent spin-polarized currents |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
91 |
Issue |
91 |
Pages |
235311 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We consider ballistic transport through a lateral, two-dimensional superlattice with experimentally realizable, sinusoidally oscillating, Rashba-type spin-orbit interaction (SOI). The periodic structure of the rectangular lattice produces a spin-dependent miniband structure for static SOI. Using Floquet theory, transmission peaks are shown to appear in themini-bandgaps as a consequence of the additional, time-dependent SOI. A detailed analysis shows that this effect is due to the generation of harmonics of the driving frequency, via which, e.g., resonances that cannot be excited in the case of static SOI become available. Additionally, the transmitted current shows space-and time-dependent partial spin polarization, in other words, polarization waves propagate through the superlattice. |
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Wos |
000355956500003 |
Publication Date |
2015-06-10 |
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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 |
10 |
Open Access |
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Notes |
; This work was partially supported by the European Union and the European Social Fund through Projects No. TAMOP-4.2.2.C-11/1/KONV-2012-0010 and No. TAMOP-4.2.2.A-11/1/KONV-2012-0060, and by the Hungarian Scientific Research Fund (OTKA) under Contracts No. T81364 and No. 116688. The ELI-ALPS Project (GOP-1.1.1-12/B-2012-0001) is supported by the European Union and cofinanced by the European Regional Development Fund. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
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Call Number |
c:irua:126432 |
Serial |
2534 |
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Author |
De Beule, C.; Saniz, R.; Partoens, B. |
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Title |
Crystalline topological states at a topological insulator junction |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
The journal of physics and chemistry of solids |
Abbreviated Journal |
J Phys Chem Solids |
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Volume |
128 |
Issue |
128 |
Pages |
144-151 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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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. |
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Place of Publication |
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Wos |
000472693100013 |
Publication Date |
2018-01-31 |
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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 |
0022-3697 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
2.059 |
Times cited |
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Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 2.059 |
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Call Number |
UA @ admin @ c:irua:161391 |
Serial |
5385 |
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Author |
Masir, M.R.; Vasilopoulos, P.; Peeters, F.M. |
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Title |
Kronig-Penney model of scalar and vector potentials in graphene |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
22 |
Issue |
46 |
Pages |
465302,1-465302,10 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We consider a one-dimensional (1D) superlattice (SL) on graphene consisting of very high and very thin (δ-function) magnetic and potential barriers with zero average potential and zero magnetic field. We calculate the energy spectrum analytically, study it in different limiting cases, and determine the condition under which an electron beam incident on an SL is highly collimated along its direction. In the absence of the magnetic SL the collimation is very sensitive to the value of W/Ws and is optimal for W/Ws = 1, where W is the distance between the positive and negative barriers and L = W + Ws is the size of the unit cell. In the presence of only the magnetic SL the collimation decreases and the symmetry of the spectrum around ky is broken for W/Ws\neq 1 . In addition, a gap opens which depends on the strength of the magnetic field. We also investigate the effect of spatially separated potential and magnetic δ-function barriers and predict a better collimation in specific cases. |
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Corporate Author |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000283838800004 |
Publication Date |
2010-11-05 |
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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 |
0953-8984;1361-648X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.649 |
Times cited |
41 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-VI), the Belgian Science Policy (IAP), and the Canadian NSERC Grant No. OGP0121756. ; |
Approved |
Most recent IF: 2.649; 2010 IF: 2.332 |
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Call Number |
UA @ lucian @ c:irua:85807 |
Serial |
1767 |
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Author |
De Beule, C.; Partoens, B. |
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Title |
Gapless interface states at the junction between two topological insulators |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
87 |
Issue |
11 |
Pages |
115113-115116 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We consider a junction between two topological insulators and calculate the properties of the interface states with an effective low-energy Hamiltonian for topological insulators with a single cone on the surface. This system bears a close resemblance to bilayer graphene, as both result from the hybridization of Dirac cones. We find gapless interface states not only when the helicity directions of the topological surface states are oppositely oriented, but they can also exist if they are equally oriented. Furthermore, we find that the existence of the interface states can be understood from the closing of the bulk gap when the helicity changes orientation. Recently superluminal tachyonic excitations were also claimed to exist at the interface between topological insulators. However, here we show that these interface states do not exist. DOI: 10.1103/PhysRevB.87.115113 |
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Wos |
000316101100002 |
Publication Date |
2013-03-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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 |
8 |
Open Access |
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Notes |
; The authors would like to thank Dr. O. Leenaerts for the helpful discussions. This work was supported by the Research Foundation Flanders (FWO). ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
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Call Number |
UA @ lucian @ c:irua:108282 |
Serial |
1316 |
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Author |
Carvalho, J.C.N.; Ferreira, W.P.; Farias, G.A.; Peeters, F.M. |
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Title |
Yukawa particles confined in a channel and subject to a periodic potential : ground state and normal modes |
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 |
9 |
Pages |
094109-094109,12 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We consider a classical system of two-dimensional (2D) charged particles, interacting through a repulsive Yukawa potential exp(-r/λ)/r, and confined in a parabolic channel that limits the motion of the particles in the y direction. Along the x direction, the particles are subject to a periodic potential. The ground-state configurations and the normal-mode spectra of the system are obtained as a function of the periodicity and strength of the periodic potential (V0) and density. An interesting set of tunable ground-state configurations are found, with first- or second-order structural transitions between them. A configuration with particles aligned, perpendicular to the x direction, in each minimum of the periodic potential is obtained for V0 larger than some critical value that has a power-law dependence on the density. The phonon spectrum of different configurations was also calculated. A localization of the modes into a small frequency interval is observed for sufficiently large strength of the periodic potential, and a tunable gap in the phonon spectrum is found as a function of V0. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Editor |
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Language |
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Wos |
000288119700001 |
Publication Date |
2011-03-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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 |
9 |
Open Access |
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Notes |
; This work was supported by the Brazilian agencies CNPq and FUNCAP (PRONEX-Grant), and the bilateral projects between Flanders and Brazil and the Flemish Science Foundation (FWO-VI) and CNPq. ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
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Call Number |
UA @ lucian @ c:irua:88779 |
Serial |
3928 |
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Author |
Berdiyorov, G.R.; Peeters, F.M.; Hamoudi, H. |
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Title |
Effect of edge groups on the electronic transport properties of tetrapodal diazatriptycene molecule |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Physica. E: Low-dimensional systems and nanostructures |
Abbreviated Journal |
Physica E |
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Volume |
141 |
Issue |
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Pages |
115212-115216 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
We conduct ballistic transport calculations to study the electronic transport properties of diazatriptycene molecule which can be self-assembled on metallic surfaces with uniform coverage and upright orientation of the functional head group. Due to its structural asymmetry, the molecule shows a clear current rectification, where the level of the rectification depends on the nature of the head group. For example, current rectification can be increased by more than a factor of 2 by anchoring the molecules to the electrode by CN functional group or introducing insulating CH2 group between the thiol end group and the adjacent phenyl ring. Our findings show the possibility of creating self-assembled monolayer of DAT molecules with controlled electronic transport properties through functionalization of the head group. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Editor |
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Language |
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Wos |
000806548600006 |
Publication Date |
2022-03-04 |
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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 |
1386-9477 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.3 |
Times cited |
1 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 3.3 |
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Call Number |
UA @ admin @ c:irua:189041 |
Serial |
7147 |
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Author |
Schowalter, M.; Rosenauer, A.; Titantah, J.T.; Lamoen, D. |
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Title |
Temperature-dependent Debye-Waller factors for semiconductors with the wurtzite-type structure |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Acta crystallographica: section A: foundations of crystallography |
Abbreviated Journal |
Acta Crystallogr A |
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Volume |
65 |
Issue |
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Pages |
227-231 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We computed Debye-Waller factors in the temperature range from 0.1 to 1000 K for AlN, GaN, InN, ZnO and CdO with the wurtzite-type structure. The Debye-Waller factors were derived from phonon densities of states obtained from Hellmann-Feynman forces computed within the density-functional-theory formalism. The temperature dependences of the Debye-Waller factors were fitted and fit parameters are given. |
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Corporate Author |
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Publisher |
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Place of Publication |
Copenhagen |
Editor |
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Language |
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Wos |
000264927100006 |
Publication Date |
2009-03-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0108-7673; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.725 |
Times cited |
23 |
Open Access |
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Notes |
Fwo G.0425.05; Esteem 026019 |
Approved |
Most recent IF: 5.725; 2009 IF: 49.926 |
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Call Number |
UA @ lucian @ c:irua:74565 |
Serial |
3497 |
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Author |
Tiwari, S.; Vanherck, J.; Van de Put, M.L.; Vandenberghe, W.G.; Sorée, B. |
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Title |
Computing Curie temperature of two-dimensional ferromagnets in the presence of exchange anisotropy |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Physical review research |
Abbreviated Journal |
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Volume |
3 |
Issue |
4 |
Pages |
043024 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We compare three first-principles methods of calculating the Curie temperature in two-dimensional (2D) ferromagnetic materials (FM), modeled using the Heisenberg model, and propose a simple formula for estimating the Curie temperature with high accuracy that works for all common 2D lattice types. First, we study the effect of exchange anisotropy on the Curie temperature calculated using the Monte Carlo (MC), the Green's function, and the renormalized spin-wave (RNSW) methods. We find that the Green's function method overestimates the Curie temperature in high-anisotropy regimes compared to the MC method, whereas the RNSW method underestimates the Curie temperature compared to the MC and the Green's function methods. Next, we propose a closed-form formula for calculating the Curie temperature of 2D FMs, which provides an estimate of the Curie temperature that is greatly improved over the mean-field expression for magnetic material screening. We apply the closed-form formula to predict the Curie temperature 2D magnets screened from the C2DB database and discover several high Curie temperature FMs, with Fe2F2 and MoI2 emerging as the most promising 2D ferromagnets. Finally, by comparing to experimental results for CrI3, CrCl3, and CrBr3, we conclude that for small effective anisotropies, the Green's-function-based equations are preferable, while for larger anisotropies, MC-based results are more predictive. |
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Place of Publication |
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Language |
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Wos |
000707506500001 |
Publication Date |
2021-10-11 |
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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; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:182522 |
Serial |
6975 |
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Author |
Dobrynin, A.N.; Temst, K.; Lievens, P.; Margueritat, J.; Gonzalo, J.; Afonso, C.N.; Piscopiello, E.; Van Tendeloo, G. |
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Title |
Observation of Co/CoO nanoparticles below the critical size for exchange bias |
Type |
A1 Journal article |
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Year |
2007 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
101 |
Issue |
11 |
Pages |
113913-113917 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We compare the magnetic properties of pure and oxidized Co nanoparticles embedded in an amorphous Al2O3 matrix. Nanoparticles with diameters of 2 or 3 nm were prepared by alternate pulsed laser deposition in high vacuum conditions, and some of them were exposed to O-2 after production and before being embedded. The nanoparticles are organized in layers, the effective edge-to-edge in-depth separation being 5 or 10 nm. The lower saturation magnetizations per Co atom for the samples containing oxidized nanoparticles provide evidence for the formation of antiferromagnetic CoO shells in the nanoparticles. None of the samples with Co/CoO nanoparticles show exchange bias, while vertical hysteresis loop shifts and enhanced coercivities (as compared to samples with pure Co nanoparticles) are observed. This constitutes evidence for the nanoparticles size being in all cases smaller than the critical size for exchange bias. The difference in coercivity versus temperature dependences for the samples with pure and oxidized Co nanoparticles shows that the exchange anisotropy in Co/CoO nanoparticles appears at temperatures lower than 50 K. (c) 2007 American Institute of Physics. |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000247306000098 |
Publication Date |
2007-06-12 |
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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 |
0021-8979; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.068 |
Times cited |
27 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.068; 2007 IF: 2.171 |
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Call Number |
UA @ lucian @ c:irua:103596 |
Serial |
2415 |
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Author |
Dobrynin, A.N.; Ievlev, D.N.; Hendrich, C.; Temst, K.; Lievens, P.; Hörmann, U.; Verbeeck, J.; Van Tendeloo, G.; Vantomme, A. |
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Title |
Influence of finite size effects on exchange anisotropy in oxidized Co nanocluster assembled films |
Type |
A1 Journal article |
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Year |
2006 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
73 |
Issue |
24 |
Pages |
245416,1-8 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We compare the magnetic properties of Co cluster assembled films with different degrees of oxidation. Clusters with grain size (2.3 +/- 0.7) nm are produced in a laser vaporization cluster source and soft-landed in ultrahigh vacuum conditions, forming highly porous nanogranular films. After exposure to air for different periods of time, the Co clusters oxidize and the sample may be considered as a thin antiferromagnetic Co oxide matrix containing ferromagnetic Co clusters. Magnetization measurements were performed in a temperature range from 300 down to 5 K, at applied magnetic fields up to 30 kOe. The exchange bias value at 5 K for the strongly oxidized sample is 4.8 kOe against the value of 0.75 kOe for the less oxidized sample. The mean values of the thicknesses of the Co oxide layers are estimated to be 0.6 and 0.3 nm for the more and less oxidized sample, respectively. We propose a method of measuring the exchange bias inducing temperature, i.e., the temperature at which exchange anisotropy is established. We determined the mean inducing temperatures for both samples, which are 55 and 25 K, respectively, for the more and less oxidized samples. Both temperatures are well below the bulk CoO Neel temperature of 292 K. A low value of the inducing temperature of the Co oxide layer is a consequence of its subnanometer thickness, while a large exchange bias value is a consequence of different dimensionality of Co clusters and Co oxide matrix. |
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Corporate Author |
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Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
|
| |
Language |
|
Wos |
000238696900114 |
Publication Date |
2006-06-16 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
17 |
Open Access |
|
|
| |
Notes |
Fwo; Gao; Iap; Hprn-Ct |
Approved |
Most recent IF: 3.836; 2006 IF: 3.107 |
|
| |
Call Number |
UA @ lucian @ c:irua:59709UA @ admin @ c:irua:59709 |
Serial |
1622 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Deylgat, E.; Chen, E.; Fischetti, M.V.; Sorée, B.; Vandenberghe, W.G. |
|
| |
Title |
Image-force barrier lowering in top- and side-contacted two-dimensional materials |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
Solid state electronics |
Abbreviated Journal |
Solid State Electron |
|
| |
Volume |
198 |
Issue |
|
Pages |
108458-4 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We compare the image-force barrier lowering (IFBL) and calculate the resulting contact resistance for four different metal-dielectric-two-dimensional (2D) material configurations. We analyze edge contacts in three different geometries (a homogeneous dielectric throughout, including the 2D layer; a homogeneous dielectric surrounding the 2D layer, both ungated and back gated) and also a top-contact assuming a homogeneous dielectric. The image potential energy of each configuration is determined and added to the Schottky energy barrier which is calculated assuming a textbook Schottky potential. For each configuration, the contact resistivity is calculated using the WKB approximation and the effective mass approximation using either SiO2 or HfO2 as the surrounding dielectric. We obtain the lowest contact resistance of 1 k Omega mu m by n-type doping an edge contacted transition metal-dichalcogenide (TMD) monolayer, sandwiched between SiO2 dielectric, with similar to 1012 cm-2 donor atoms. When this optimal configuration is used, the contact resistance is lowered by a factor of 50 compared to the situation when the IFBL is not considered. |
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| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000876289800003 |
Publication Date |
2022-09-22 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0038-1101 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
1.7 |
Times cited |
|
Open Access |
Not_Open_Access |
|
| |
Notes |
|
Approved |
Most recent IF: 1.7 |
|
| |
Call Number |
UA @ admin @ c:irua:191556 |
Serial |
7312 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Petrovic, M.D.; Milovanović, S.P.; Peeters, F.M. |
|
| |
Title |
Scanning gate microscopy of magnetic focusing in graphene devices : quantum versus classical simulation |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
|
| |
Volume |
28 |
Issue |
28 |
Pages |
185202 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We compare classical versus quantum electron transport in recently investigated magnetic focusing devices (Bhandari et al 2016 Nano Lett. 16 1690) exposed to the perturbing potential of a scanning gate microscope (SGM). Using the Landauer-Buttiker formalism for a multi-terminal device, we calculate resistance maps that are obtained as the SGM tip is scanned over the sample. There are three unique regimes in which the scanning tip can operate (focusing, repelling, and mixed regime) which are investigated. Tip interacts mostly with electrons with cyclotron trajectories passing directly underneath it, leaving a trail of modified current density behind it. Other (indirect) trajectories become relevant when the tip is placed near the edges of the sample, and current is scattered between the tip and the edge. We point out that, in contrast to SGM experiments on gapped semiconductors, the STM tip can induce a pn junction in graphene, which improves contrast and resolution in SGM. We also discuss possible explanations for spatial asymmetry of experimentally measured resistance maps, and connect it with specific configurations of the measuring probes. |
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| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Bristol |
Editor |
|
|
| |
Language |
|
Wos |
000399273800001 |
Publication Date |
2017-03-17 |
|
| |
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 |
7 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Methusalem program of the Flemish government. ; |
Approved |
Most recent IF: 3.44 |
|
| |
Call Number |
UA @ lucian @ c:irua:143639 |
Serial |
4607 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Austing, D.G.; Payette, C.; Yu, G.; Gupta, J.A.; Aers, G.C.; Nair, S.V.; Partoens, B.; Amaha, S.; Tarucha, S. |
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| |
Title |
Characterization and modeling of single-particle energy levels and resonant currents in a coherent quantum dot mixer |
Type |
P1 Proceeding |
| |
Year |
2011 |
Publication |
AIP conference proceedings
T2 – 30th International Conference on the Physics of Semiconductors (ICPS-30), JUL 25-30, 2010, Seoul, SOUTH KOREA |
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
1-2 |
|
| |
Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We characterize and model the single-particle energy level position and resonant current strength at a three-level crossing in a coherent mixer composed of two weakly coupled vertical quantum dots. In addition to clear anticrossing behavior, an otherwise strong resonance is completely extinguished at the center of the crossing. Despite the strong variation in energy level position and resonant current strength throughout the crossing region, the resonance widths and the sum of the branch currents are found to be approximately constant. |
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| |
Address |
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Corporate Author |
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Thesis |
|
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| |
Publisher |
|
Place of Publication |
New York |
Editor |
|
|
| |
Language |
|
Wos |
000301053000453 |
Publication Date |
2011-12-28 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
1399 |
Series Issue |
|
Edition |
|
|
| |
ISSN |
|
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
; ; |
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:113070 |
Serial |
314 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Schowalter, M.; Rosenauer, A.; Titantah, J.T.; Lamoen, D. |
|
| |
Title |
Computation and parametrization of the temperature dependence of Debye-Waller factors for group IV, III-V and II-VI semiconductors |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Acta crystallographica: section A: foundations of crystallography |
Abbreviated Journal |
Acta Crystallogr A |
|
| |
Volume |
65 |
Issue |
1 |
Pages |
5-17 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
We calculated the temperature dependence of the Debye-Waller factors for a variety of group IV, III-V and II-VI semiconductors from 0.1 to 1000 K. The approach used to fit the temperature dependence is described and resulting fit parameters are tabulated for each material. The Debye-Waller factors are deduced from generalized phonon densities of states which were derived from first principles using the WIEN2k and the ABINIT codes. |
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| |
Address |
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Corporate Author |
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Thesis |
|
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| |
Publisher |
|
Place of Publication |
Copenhagen |
Editor |
|
|
| |
Language |
|
Wos |
000261799500002 |
Publication Date |
2008-11-05 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0108-7673; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
5.725 |
Times cited |
51 |
Open Access |
|
|
| |
Notes |
Fwo G.0425.05; Esteem 026019 |
Approved |
Most recent IF: 5.725; 2009 IF: 49.926 |
|
| |
Call Number |
UA @ lucian @ c:irua:72918 |
Serial |
453 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Çakir, D.; Otalvaro, D.M.; Brocks, G. |
|
| |
Title |
From spin-polarized interfaces to giant magnetoresistance in organic spin valves |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
89 |
Issue |
11 |
Pages |
115407 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We calculate the spin-polarized electronic transport through a molecular bilayer spin valve from first principles, and establish the link between the magnetoresistance and the spin-dependent interactions at the metal-molecule interfaces. The magnetoresistance of a Fe vertical bar bilayer-C-70 vertical bar Fe spin valve attains a high value of 70% in the linearresponse regime, but it drops sharply as a function of the applied bias. The current polarization has a value of 80% in linear response and also decreases as a function of bias. Both these trends can be modeled in terms of prominent spin-dependent Fe vertical bar C-70 interface states close to the Fermi level, unfolding the potential of spinterface science to control and optimize spin currents. |
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| |
Address |
|
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| |
Corporate Author |
|
Thesis |
|
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| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
|
| |
Language |
|
Wos |
000332504900007 |
Publication Date |
2014-03-10 |
|
| |
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 |
14 |
Open Access |
|
|
| |
Notes |
; ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
|
| |
Call Number |
UA @ lucian @ c:irua:128321 |
Serial |
4596 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
de Sena, S.H.R.; Pereira, J.M.; Peeters, F.M.; Farias, G.A. |
|
| |
Title |
Topological confinement in trilayer graphene |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
89 |
Issue |
3 |
Pages |
035420-35425 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We calculate the spectrum of states that are localized at the interface between two regions of opposite bias in trilayer graphene (TLG). These potential profiles, also known as potential kinks, have been predicted to support two different branches of localized states for the case of bilayer graphene, and show similarities to the surface states of topological insulators. On the other hand, we found that ABC stacked TLG exhibits three different unidimensional branches of states in each valley that are confined to the kink interface. They have the property E(k(y)) = -E(-k(y)) when belonging to the same valley and E-K(k(y)) = -E-K' (-k(y)). A kink-antikink potential profile opens a gap in the spectrum of these one-dimensional states. |
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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 |
000332220800005 |
Publication Date |
2014-01-21 |
|
| |
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 |
4 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Brazilian Council for Research (CNPq-PRONEX), the Flemish Science Foundation (FWO-Vl), and the Bilateral project between CNPq and FWO-Vl and the Brazilian program Science Without Borders (CsF). ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
|
| |
Call Number |
UA @ lucian @ c:irua:115830 |
Serial |
3676 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Moors, K.; Soree, B.; Tokei, Z.; Magnus, W. |
|
| |
Title |
Electron relaxation times and resistivity in metallic nanowires due to tilted grain boundary planes |
Type |
P1 Proceeding |
| |
Year |
2015 |
Publication |
On Ultimate Integration On Silicon (eurosoi-ulis) |
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
201-204 |
|
| |
Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We calculate the resistivity contribution of tilted grain boundaries with varying parameters in sub-10nm diameter metallic nanowires. The results have been obtained with the Boltzmann transport equation and Fermi's golden rule, retrieving correct state-dependent relaxation times. The standard approximation schemes for the relaxation times are shown to fail when grain boundary tilt is considered. Grain boundaries tilted under the same angle or randomly tilted induce a resistivity decrease. |
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| |
Address |
|
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| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
Ieee |
Place of Publication |
New york |
Editor |
|
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| |
Language |
|
Wos |
|
Publication Date |
|
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
978-1-4799-6911-1 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:144776 |
Serial |
4651 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Saniz, R.; Dixit, H.; Lamoen, D.; Partoens, B. |
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| |
Title |
Quasiparticle energies and uniaxial pressure effects on the properties of SnO2 |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
|
| |
Volume |
97 |
Issue |
|
Pages |
261901-261901,3 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
|
| |
Abstract |
We calculate the quasiparticle energy spectrum of SnO2 within the GW approximation, properly taking into account the contribution of core levels to the energy corrections. The calculated fundamental gap is of 3.85 eV. We propose that the difference with respect to the experimental optical gap (3.6 eV) is due to excitonic effects in the latter. We further consider the effect applied on uniaxial pressure along the c-axis. Compared to GW, the effect of pressure on the quasiparticle energies and band gap is underestimated by the local-density approximation. The quasiparticle effective masses, however, appear to be well described by the latter. |
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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 |
|
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| |
Language |
|
Wos |
000285768100015 |
Publication Date |
2010-12-28 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
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 |
23 |
Open Access |
|
|
| |
Notes |
Iwt; Fwo; Bof-Noi |
Approved |
Most recent IF: 3.411; 2010 IF: 3.841 |
|
| |
Call Number |
UA @ lucian @ c:irua:85759 |
Serial |
2803 |
|
| Permanent link to this record |
| |
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| |
|
Author |
Nogaret, A.; Peeters, F.M. |
|
| |
Title |
Electrically induced spin resonance fluorescence: 1: theory |
Type |
A1 Journal article |
| |
Year |
2007 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
76 |
Issue |
7 |
Pages |
|
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We calculate the fluorescence of electron spins confined to a plane and driven into resonance by a magnetic field gradient and a constant magnetic field applied at right angles to each other. We solve the equation of motion of two-dimensional electrons in the magnetic field gradient to derive the dispersion curve of spin oscillators, the amplitude of electron oscillations, the effective magnetic field sensed by the electron spin, and the rate at which electrons are injected from an electrode into spin oscillators. We then switch on the interaction between the spin magnetic dipole and the electromagnetic field to find the fluorescence power radiated by the individual spin oscillators. The rate of radiative decay is first derived, followed by the probability of sequential photon emission whereby a series of spontaneous decays occurs at random times separated by intervals during which the spin performs Rabi oscillations. The quantum correlations between random radiative decays manifest as bursts of emission at regular intervals along the wire. We integrate all multiphoton processes to obtain an exact analytical expression for the radiated electromagnetic power. The present theory obtains all parameters of the problem including magnetodipole coupling, the particle dwell time in the magnetic field gradient, and the spin polarization of the incoming current. The output power contains a fine structure arising from the anharmonicity of electron oscillations and from nonlinear optical effects which both give satellite emission peaks at odd multiples of the fundamental frequency. |
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| |
Address |
|
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| |
Corporate Author |
|
Thesis |
|
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| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
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| |
Language |
|
Wos |
000249155300091 |
Publication Date |
2007-08-09 |
|
| |
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 |
8 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2007 IF: 3.172 |
|
| |
Call Number |
UA @ lucian @ c:irua:66117 |
Serial |
897 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Chaves, A.; Low, T.; Avouris, P.; Çakir, D.; Peeters, F.M. |
|
| |
Title |
Anisotropic exciton Stark shift in black phosphorus |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
91 |
Issue |
91 |
Pages |
155311 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We calculate the excitonic spectrum of few-layer black phosphorus by direct diagonalization of the effective mass Hamiltonian in the presence of an applied in-plane electric field. The strong attractive interaction between electrons and holes in this system allows one to investigate the Stark effect up to very high ionizing fields, including also the excited states. Our results show that the band anisotropy in black phosphorus becomes evident in the direction-dependent field-induced polarizability of the exciton. |
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| |
Address |
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Corporate Author |
|
Thesis |
|
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| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
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| |
Language |
|
Wos |
000353459200005 |
Publication Date |
2015-04-27 |
|
| |
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 |
88 |
Open Access |
|
|
| |
Notes |
; Discussions with J. M. Pereira Jr. and J. S. de Souza are gratefully acknowledged. This work was supported by the Brazilian Council for Research (CNPq) through the PQ and Science Without Borders programs, the Flemish Science Foundation (FWO-Vl), the Methusalem programme of the Flemish government, and the Bilateral program (CNPq-FWO) between Flanders and Brazil. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
|
| |
Call Number |
UA @ lucian @ c:irua:132506 |
Serial |
4141 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Anisimovas, E.; Peeters, F.M. |
|
| |
Title |
Dynamic response of artificial bipolar molecules |
Type |
A1 Journal article |
| |
Year |
2002 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
66 |
Issue |
7 |
Pages |
075311 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We calculate the equilibrium properties and the dynamic response of two vertically coupled circular quantum dots populated by particles of different electrical charge sign, i.e., electrons and holes. The equilibrium density profiles are obtained and used to compute the frequencies and oscillator strengths of magnetoplasma excitations. We find a strong coupling between the modes derived from the center-of-mass modes of the individual dots which leads to an anticrossing with a pronounced oscillator strength transfer from the “acoustic” to the “optical” branch. Also, due to the breaking of the generalized Kohn theorem a number of other than center-of-mass modes are excited whose oscillator strengths, however, are rather weak. |
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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 |
000177969800103 |
Publication Date |
2002-10-01 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.836 |
Times cited |
9 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 3.836; 2002 IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:99397 |
Serial |
765 |
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| Permanent link to this record |
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| |
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Author |
Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G. |
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| |
Title |
Critical behavior of the ferromagnets CrI₃, CrBr₃, and CrGeTe₃ and the antiferromagnet FeCl₂ : a detailed first-principles study |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
103 |
Issue |
1 |
Pages |
014432 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
We calculate the Curie temperature of layered ferromagnets, chromium tri-iodide (CrI3), chromium tri-bromide (CrBr3), chromium germanium tri-telluride (CrGeTe3), and the Ned temperature of a layered antiferromagnet iron di-chloride (FeCl2), using first-principles density functional theory calculations and Monte Carlo simulations. We develop a computational method to model the magnetic interactions in layered magnetic materials and calculate their critical temperature. We provide a unified method to obtain the magnetic exchange parameters (J) for an effective Heisenberg Hamiltonian from first principles, taking into account both the magnetic ansiotropy as well as the out-of-plane interactions. We obtain the magnetic phase change behavior, in particular the critical temperature, from the susceptibility and the specific-heat, calculated using the three-dimensional Monte Carlo (METROPOLIS) algorithm. The calculated Curie temperatures for ferromagnetic materials (CrI3, CrBr3, and CrGeTe3), match well with experimental values. We show that the interlayer interaction in bulk CrI3 with R (3) over bar stacking is significantly stronger than the C2/m stacking, in line with experimental observations. We show that the strong interlayer interaction in R (3) over bar CrI3 results in a competition between the in-plane and the out-of-plane magnetic easy axes. Finally, we calculate the Ned temperature of FeCl2 to be 47 +/- 8 K and show that the magnetic phase transition in FeCl2 occurs in two steps with a high-temperature intralayer ferromagnetic phase transition and a low-temperature interlayer antiferromagnetic phase transition. |
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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 |
000609012000002 |
Publication Date |
2021-01-20 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.836 |
Times cited |
|
Open Access |
OpenAccess |
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| |
Notes |
; The project or effort depicted was or is sponsored by the Department of Defense, Defense Threat Reduction Agency Grant No. HDTRA1-18-1-0018. The content of the information does not necessarily reflect the position or the policy of the federal government, and no official endorsement should be inferred. This work was supported by imec's Industrial Affiliation Program. ; |
Approved |
Most recent IF: 3.836 |
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| |
Call Number |
UA @ admin @ c:irua:176081 |
Serial |
6686 |
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| Permanent link to this record |
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Author |
Deylgat, E.; Chen, E.; Sorée, B.; Vandenberghe, W.G. |
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| |
Title |
Quantum transport study of contact resistance of edge- and top-contacted two-dimensional materials |
Type |
P1 Proceeding |
| |
Year |
2023 |
Publication |
International Conference on Simulation of Semiconductor Processes and Devices : [proceedings]
T2 – International Conference on Simulation of Semiconductor Processes and, Devices (SISPAD), SEP 27-29, 2023, Kobe, Japan |
Abbreviated Journal |
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| |
Volume |
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Issue |
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Pages |
45-48 |
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| |
Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
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Abstract |
We calculate the contact resistance for an edge- and top-contacted 2D semiconductor. The contact region consists of a metal contacting a monolayer of MoS2 which is otherwise surrounded by SiO2. We use the quantum transmitting boundary method to compute the contact resistance as a function of the 2D semiconductor doping concentration. An effective mass Hamiltonian is used to describe the properties of the various materials. The electrostatic potentials are obtained by solving the Poisson equation numerically. We incorporate the effects of the image-force barrier lowering on the Schottky barrier and examine the impact on the contact resistance. At low doping concentrations, the contact resistance of the top contact is lower compared to edge contact, while at high doping concentrations, the edge contact exhibits lower resistance. |
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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 |
001117703800012 |
Publication Date |
2023-11-20 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
978-4-86348-803-8 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
|
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 @ admin @ c:irua:202839 |
Serial |
9079 |
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| Permanent link to this record |
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Author |
Bal, K.M.; Neyts, E.C. |
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Title |
Extending and validating bubble nucleation rate predictions in a Lennard-Jones fluid with enhanced sampling methods and transition state theory |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
Journal Of Chemical Physics |
Abbreviated Journal |
J Chem Phys |
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| |
Volume |
157 |
Issue |
18 |
Pages |
184113-10 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
We calculate bubble nucleation rates in a Lennard-Jones fluid through explicit molecular dynamics simulations. Our approach-based on a recent free energy method (dubbed reweighted Jarzynski sampling), transition state theory, and a simple recrossing correction-allows us to probe a fairly wide range of rates in several superheated and cavitation regimes in a consistent manner. Rate predictions from this approach bridge disparate independent literature studies on the same model system. As such, we find that rate predictions based on classical nucleation theory, direct brute force molecular dynamics simulations, and seeding are consistent with our approach and one another. Published rates derived from forward flux sampling simulations are, however, found to be outliers. This study serves two purposes: First, we validate the reliability of common modeling techniques and extrapolation approaches on a paradigmatic problem in materials science and chemical physics. Second, we further test our highly generic recipe for rate calculations, and establish its applicability to nucleation processes. |
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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 |
|
Wos |
000885260600002 |
Publication Date |
2022-11-14 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
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| |
ISSN |
0021-9606 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.4 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 4.4 |
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Call Number |
UA @ admin @ c:irua:192076 |
Serial |
7266 |
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| Permanent link to this record |
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Author |
Clavel, J.; Lembrechts, J.; Lenoir, J.; Haider, S.; McDougall, K.; Nunez, M.A.; Alexander, J.; Barros, A.; Milbau, A.; Seipel, T.; Pauchard, A.; Fuentes-Lillo, E.; Backes, A.R.; Dar, P.; Reshi, Z.A.; Aleksanyan, A.; Zong, S.; Sierra, J.R.A.; Aschero, V.; Verbruggen, E.; Nijs, I. |
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Title |
Roadside disturbance promotes plant communities with arbuscular mycorrhizal associations in mountain regions worldwide |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Ecography |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
e07051-14 |
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Keywords |
A1 Journal article; Plant and Ecosystems (PLECO) – Ecology in a time of change |
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Abstract |
We assessed the impact of road disturbances on the dominant mycorrhizal types in ecosystems at the global level and how this mechanism can potentially lead to lasting plant community changes. We used a database of coordinated plant community surveys following mountain roads from 894 plots in 11 mountain regions across the globe in combination with an existing database of mycorrhizal-plant associations in order to approximate the relative abundance of mycorrhizal types in natural and disturbed environments. Our findings show that roadside disturbance promotes the cover of plants associated with arbuscular mycorrhizal (AM) fungi. This effect is especially strong in colder mountain environments and in mountain regions where plant communities are dominated by ectomycorrhizal (EcM) or ericoid-mycorrhizal (ErM) associations. Furthermore, non-native plant species, which we confirmed to be mostly AM plants, are more successful in environments dominated by AM associations. These biogeographical patterns suggest that changes in mycorrhizal types could be a crucial factor in the worldwide impact of anthropogenic disturbances on mountain ecosystems. Indeed, roadsides foster AM-dominated systems, where AM-fungi might aid AM-associated plant species while potentially reducing the biotic resistance against invasive non-native species, often also associated with AM networks. Restoration efforts in mountain ecosystems will have to contend with changes in the fundamental make-up of EcM- and ErM plant communities induced by roadside disturbance. |
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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 |
001198654900001 |
Publication Date |
2024-04-09 |
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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 |
0906-7590 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:205605 |
Serial |
9224 |
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| Permanent link to this record |
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Author |
Razavi, F.S.; Gross, G.; Habermeier, H.-U.; Lebedev, O.; Amelinckx, S.; Van Tendeloo, G.; Vigliante, A. |
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Title |
Epitaxial strain induced metal insulator transition in La0.9Sr0.1MnO3 and La0.88Sr0.1MnO3 thin films |
Type |
A1 Journal article |
| |
Year |
2000 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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| |
Volume |
76 |
Issue |
2 |
Pages |
155-157 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We are reporting an unexpected metal insulator transition at the ferromagnetic phase-transition temperature for thin films of La0.9Sr0.1MnO3 (< 50 nm), grown on a (100) face of SrTiO3 substrate. For the thicker films (> 50 nm), similar to the single crystal, no such transition is observed below T-C. Additionally, we observe the suppression of the features associated with charge or orbital ordering in intentionally La-deficient thin films of La0.88Sr0.1MnO3 (< 75 nm). In thin films, transmission electron microscopy reveals a compressive strain due to the epitaxial growth, that is, lattice parameters adopt those of the cubic lattice of SrTiO3. As the film thickness increases, coherent microtwinning is observed in the films and the films relax to a orthorhombic structure. (C) 2000 American Institute of Physics. [S0003-6951(00)00402-2]. |
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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 |
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Wos |
000084541000009 |
Publication Date |
2002-07-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.411 |
Times cited |
91 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.411; 2000 IF: 3.906 |
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Call Number |
UA @ lucian @ c:irua:99441 |
Serial |
1073 |
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| Permanent link to this record |
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Author |
Anisimovas, E.; Peeters, F.M. |
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Title |
Few-particle states in coupled electron-hole quantum dots |
Type |
P1 Proceeding |
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Year |
2003 |
Publication |
Functions II |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
330-337 |
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Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
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Abstract |
We apply the exact diagonalization technique to calculate the ground and excited states of a bipolar artificial molecule composed of two vertically coupled quantum dots containing different types of carriers electrons and holes in equilibrium. In this system, the magnetic field tunes the relative role of intra-dot Coulomb interaction while the inter-dot separation sets the strength of inter-dot correlations. We find an intricate pattern of the switching of the ground-state angular momentum with increasing magnetic field and a rearrangement of approximate single-particle levels as a function of the inter-dot coupling strength. |
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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 |
000229502400029 |
Publication Date |
2007-11-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
|
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:103838 |
Serial |
1186 |
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| Permanent link to this record |
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Author |
Tsirlin, A.A.; Abakumov, A.M.; Ritter, C.; Rosner, H. |
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Title |
(CuCl)LaTa2O\text{7} and quantum phase transition in the (CuX)LaM2O7 family (X=Cl, Br; M=Nb, Ta) |
Type |
A1 Journal article |
| |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
86 |
Issue |
6 |
Pages |
064440-12 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We apply neutron diffraction, high-resolution synchrotron x-ray diffraction, magnetization measurements, electronic structure calculations, and quantum Monte-Carlo simulations to unravel the structure and magnetism of (CuCl)LaTa2O7. Despite the pseudo-tetragonal crystallographic unit cell, this compound features an orthorhombic superstructure, similar to the Nb-containing (CuX)LaNb2O7 with X = Cl and Br. The spin lattice entails dimers formed by the antiferromagnetic fourth-neighbor coupling J(4), as well as a large number of nonequivalent interdimer couplings quantified by an effective exchange parameter J(eff). In (CuCl)LaTa2O7, the interdimer couplings are sufficiently strong to induce the long-range magnetic order with the Neel temperature T-N similar or equal to 7 K and the ordered magnetic moment of 0.53 mu(B), as measured with neutron diffraction. This magnetic behavior can be accounted for by J(eff)/J(4) similar or equal to 1.6 and J(4) similar or equal to 16 K. We further propose a general magnetic phase diagram for the (CuCl)LaNb2O7-type compounds, and explain the transition from the gapped spin-singlet (dimer) ground state in (CuCl)LaNb2O7 to the long-range antiferromagnetic order in (CuCl)LaTa2O7 and (CuBr)LaNb2O7 by an increase in the magnitude of the interdimer couplings J(eff)/J(4), with the (CuCl)LaM2O7 (M = Nb, Ta) compounds lying on different sides of the quantum critical point that separates the singlet and long-range-ordered magnetic ground states. |
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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 |
000308127600006 |
Publication Date |
2012-08-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.836 |
Times cited |
6 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
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Call Number |
UA @ lucian @ c:irua:101886 |
Serial |
3526 |
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| Permanent link to this record |
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Author |
Leenaerts, O.; Partoens, B.; Peeters, F.M. |
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Title |
Water on graphene: hydrophobicity and dipole moment using density functional theory |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Physical review : B : solid state |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
79 |
Issue |
23 |
Pages |
235440,1-235440,5 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We apply density-functional theory to study the adsorption of water clusters on the surface of a graphene sheet and find i) graphene is highly hydrophobic and ii) adsorbed water has very little effect on the electronic structure of graphene. A single water cluster on graphene has a very small average dipole moment which is in contrast with an ice layer that exhibits a strong dipole moment. |
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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 |
000267699500147 |
Publication Date |
2009-06-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.836 |
Times cited |
292 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 3.836; 2009 IF: 3.475 |
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Call Number |
UA @ lucian @ c:irua:77693 |
Serial |
3904 |
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| Permanent link to this record |
