Records |
Author |
Krstajić, P.M.; Peeters, F.M. |
Title |
Remote electron plasmon polaron in graphene |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
85 |
Issue |
8 |
Pages |
085436-085436,5 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The Coulomb interaction and the correlation of a remote electron with a single layer of graphene is investigated in the presence of a magnetic field applied perpendicular to the graphene layer. The remote electron polarizes the electron gas in the graphene layer, which we describe in terms of excitations of virtual plasmons in graphene. The composite quasiparticle formed by electron plus polarization is called a plasmon polaron. The ground-state energy of this quasiparticle is calculated within perturbation theory for remote electrons in different environments. |
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 |
000300831900012 |
Publication Date |
2012-02-27 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
4 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:97202 |
Serial |
2869 |
Permanent link to this record |
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Author |
Piscopiello, E.; Rosenauer, A.; Passaseo, A.; Montoya Rossi, E.H.; Van Tendeloo, G. |
Title |
Segregation in InxGa1-xAs/GaAs Stranski-Krastanow layers grown by metal-organic chemical vapour deposition |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Philosophical magazine |
Abbreviated Journal |
Philos Mag |
Volume |
85 |
Issue |
32 |
Pages |
3857-3870 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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 |
London |
Editor |
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Language |
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Wos |
000233171500007 |
Publication Date |
2005-11-10 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
1478-6435;1478-6443; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.505 |
Times cited |
11 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.505; 2005 IF: 1.470 |
Call Number |
UA @ lucian @ c:irua:59054 |
Serial |
2961 |
Permanent link to this record |
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Author |
Tsirlin, A.A.; Abakumov, A.M.; Ritter, C.; Henry, P.F.; Janson, O.; Rosner, H. |
Title |
Short-range order of Br and three-dimensional magnetism in (CuBr)LaNb2O7 |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
85 |
Issue |
21 |
Pages |
214427 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
We present a comprehensive study of the crystal structure, magnetic structure, and microscopic magnetic model of (CuBr)LaNb2O7, the Br analog of the spin-gap quantum magnet (CuCl) LaNb2O7. Despite similar crystal structures and spin lattices, the magnetic behavior and even peculiarities of the atomic arrangement in the Cl and Br compounds are very different. The high- resolution x-ray and neutron data reveal a split position of Br atoms in (CuBr) LaNb2O7. This splitting originates from two possible configurations developed by [CuBr] zigzag ribbons. While the Br atoms are locally ordered in the ab plane, their arrangement along the c direction remains partially disordered. The predominant and energetically more favorable configuration features an additional doubling of the c lattice parameter that was not observed in (CuCl) LaNb2O7. (CuBr) LaNb2O7 undergoes long-range antiferromagnetic ordering at T-N = 32 K, which is nearly 70% of the leading exchange coupling J4 similar or equal to 48 K. The Br compound does not show any experimental signatures of low-dimensional magnetism because the underlying spin lattice is three-dimensional. The coupling along the c direction is comparable to the couplings in the ab plane, even though the shortest Cu-Cu distance along c (11.69 angstrom) is three times larger than nearest-neighbor distances in the ab plane (3.55 angstrom). The stripe antiferromagnetic long-range order featuring columns of parallel spins in the ab plane and antiparallel spins along c is verified experimentally and confirmed by the microscopic analysis. |
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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 |
000305557600002 |
Publication Date |
2012-06-22 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
5 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:100289 |
Serial |
2998 |
Permanent link to this record |
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Author |
Molnar, B.; Vasilopoulos, P.; Peeters, F.M. |
Title |
Spin-dependent transmission through a chain of rings : influence of a periodically modulated spin-orbit interaction strength or ring radius |
Type |
A1 Journal article |
Year |
2004 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
85 |
Issue |
4 |
Pages |
612-614 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We study ballistic electron transport through a finite chain of quantum circular rings in the presence of spin-orbit interaction of strength alpha. For a single ring, the transmission and reflection coefficients are obtained analytically and from them the conductance for a chain of rings as a function of alpha and of the wave vector k of the incident electron. We show that due to destructive spin interferences, the chain can be totally opaque for certain ranges of k, the width of which depends on the value of alpha. A periodic modulation of the strength alpha or of the ring radius widens the gaps considerably and produces a nearly binary conductance output. (C) 2004 American Institute of Physics. |
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 |
000222855400034 |
Publication Date |
2004-07-23 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
26 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.411; 2004 IF: 4.308 |
Call Number |
UA @ lucian @ c:irua:94799 |
Serial |
3085 |
Permanent link to this record |
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Author |
Fang, C.M.; van Huis, M.A.; Thijsse, B.J.; Zandbergen, H.W. |
Title |
Stability and crystal structures of iron carbides : a comparison between the semi-empirical modified embedded atom method and quantum-mechanical DFT calculations |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
85 |
Issue |
5 |
Pages |
054116-054116,7 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Iron carbides play a crucial role in steel manufacturing and processing and to a large extent determine the physical properties of steel products. The modified embedded atom method (MEAM) in combination with Lee's Fe-C potential is a good candidate for molecular dynamics simulations on larger Fe-C systems. Here, we investigate the stability and crystal structures of pure iron and binary iron carbides using MEAM and compare them with the experimental data and quantum-mechanical density functional theory calculations. The analysis shows that the Fe-C potential gives reasonable results for the relative stability of iron and iron carbides. The performance of MEAM for the prediction of the potential energy and the calculated lattice parameters at elevated temperature for pure iron phases and cementite are investigated as well. The conclusion is that Lee's MEAM Fe-C potential provides a promising basis for further molecular dynamics simulations of Fe-C alloys and steels at lower temperatures (up to 800 K). |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000300931900004 |
Publication Date |
2012-02-29 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
18 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:97201 |
Serial |
3117 |
Permanent link to this record |
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Author |
Govaerts, K.; Sluiter, M.H.F.; Partoens, B.; Lamoen, D. |
Title |
Stability of Sb-Te layered structures : first-principles study |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
85 |
Issue |
14 |
Pages |
144114-144114,8 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
Abstract |
Using an effective one-dimensional cluster expansion in combination with first-principles electronic structure calculations we have studied the energetics and electronic properties of Sb-Te layered systems. For a Te concentration between 0 and 60 at. % an almost continuous series of metastable structures is obtained consisting of consecutive Sb bilayers next to consecutive Sb2Te3 units, with the general formula (Sb-2)(n)(Sb2Te3)(m) (n, m = 1,2, ... ). Between 60 and 100 at.% no stable structures are found. We account explicitly for the weak van derWaals bonding between Sb bilayers and Sb2Te3 units by using a recently developed functional, which strongly improves the interlayer bonding distances. At T = 0 K, no evidence is found for the existence of two separate single-phase regions delta and gamma and a two-phase region delta + gamma. Metastable compounds with a Te concentration between 0 and 40 at. % are semimetallic, whereas compounds with a Te concentration between 50 and 60 at. % are semiconducting. Compounds with an odd number of Sb layers are metallic and have a much higher formation energy than those with an even number of consecutive Sb layers, thereby favoring the formation of Sb bilayers. |
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 |
000303115400004 |
Publication Date |
2012-04-23 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
14 |
Open Access |
|
Notes |
Iwt; Fwo |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:98255 |
Serial |
3129 |
Permanent link to this record |
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Author |
Neek-Amal, M.; Peeters, F.M. |
Title |
Strain-engineered graphene through a nanostructured substrate : 1 : deformations |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
85 |
Issue |
19 |
Pages |
195445-195445,11 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Using atomistic simulations we investigate the morphological properties of graphene deposited on top of a nanostructured substrate. Sinusoidally corrugated surfaces, steps, elongated trenches, one-dimensional and cubic barriers, spherical bubbles, Gaussian bumps, and Gaussian depressions are considered as support structures for graphene. The graphene-substrate interaction is governed by van der Waals forces and the profile of the graphene layer is determined by minimizing the energy using molecular dynamics simulations. Based on the obtained optimum configurations, we found that (i) for graphene placed over sinusoidally corrugated substrates with corrugation wavelengths longer than 2 nm, the graphene sheet follows the substrate pattern while for supported graphene it is always suspended across the peaks of the substrate, (ii) the conformation of graphene to the substrate topography is enhanced when increasing the energy parameter in the van der Waals model, (iii) the adhesion of graphene into the trenches depends on the width of the trench and on the graphene's orientation, i. e., in contrast to a small-width (3 nm) nanoribbon with armchair edges, the one with zigzag edges follows the substrate profile, (iv) atomic-scale graphene follows a Gaussian bump substrate but not the substrate with a Gaussian depression, and (v) the adhesion energy due to van der Waals interaction varies in the range [0.1-0.4] J/m(2). |
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 |
000304394800012 |
Publication Date |
2012-05-23 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
62 |
Open Access |
|
Notes |
; We thank L. Covaci and S. Costamagna for valuable comments. We acknowledge M. Zarenia, M. R. Masir and D. Nasr for fruitful discussions. This work was supported by the Flemish Science Foundation (FWO-Vl) and ESF EUROCORE program EuroGRAPHENE: CONGRAN. ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:98942 |
Serial |
3166 |
Permanent link to this record |
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Author |
Neek-Amal, M.; Peeters, F.M. |
Title |
Strain-engineered graphene through a nanostructured substrate : 2 : pseudomagnetic fields |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
85 |
Issue |
19 |
Pages |
195446-195446,6 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The strain-induced pseudomagnetic field in supported graphene deposited on top of a nanostructured substrate is investigated by using atomistic simulations. A step, an elongated trench, a one-dimensional barrier, a spherical bubble, a Gaussian bump, and a Gaussian depression are considered as support structures for graphene. From the obtained optimum configurations we found very strong induced pseudomagnetic fields which can reach up to similar to 1000 T due to the strain-induced deformations in the supported graphene. Different magnetic confinements with controllable geometries are found by tuning the pattern of the substrate. The resulting induced magnetic fields for graphene on top of a step, barrier, and trench are calculated. In contrast to the step and trench the middle part of graphene on top of a barrier has zero pseudomagnetic field. This study provides a theoretical background for designing magnetic structures in graphene by nanostructuring substrates. We found that altering the radial symmetry of the deformation changes the sixfold symmetry of the induced pseudomagnetic field. |
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 |
000304394800013 |
Publication Date |
2012-05-23 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
31 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the ESF EUROCORE program EuroGRAPHENE: CONGRAN. ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:98943 |
Serial |
3167 |
Permanent link to this record |
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Author |
Verberck, B.; Partoens, B.; Peeters, F.M.; Trauzettel, B. |
Title |
Strain-induced band gaps in bilayer graphene |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
85 |
Issue |
12 |
Pages |
125403-125403,10 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We present a tight-binding investigation of strained bilayer graphene within linear elasticity theory, focusing on the different environments experienced by the A and B carbon atoms of the different sublattices. We find that the inequivalence of the A and B atoms is enhanced by the application of perpendicular strain epsilon(zz), which provides a physical mechanism for opening a band gap, most effectively obtained when pulling the two graphene layers apart. In addition, perpendicular strain introduces electron-hole asymmetry and can result in linear electronic dispersion near the K point. Our findings suggest experimental means for strain-engineered band gaps in bilayer graphene. |
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 |
000301113200005 |
Publication Date |
2012-03-06 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
53 |
Open Access |
|
Notes |
; The authors would like to acknowledge O. Leenaerts, E. Mariani, K. H. Michel, and J. Schelter for useful discussions. B. V. was financially supported by the Flemish Science Foundation (FWO-Vl). This work was financially supported by the ESF program EuroGraphene under projects CONGRAN and ENTS as well as by the DFG. ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:97181 |
Serial |
3168 |
Permanent link to this record |
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Author |
Martin, J.M.L.; El-Yazal, J.; François, J.P.; Gijbels, R. |
Title |
The structure and energetics of B3N2, B2N3, and BN4: symmetry breaking effects in B3N2 |
Type |
A1 Journal article |
Year |
1995 |
Publication |
Molecular physics |
Abbreviated Journal |
Mol Phys |
Volume |
85 |
Issue |
|
Pages |
527-537 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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 |
London |
Editor |
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Language |
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Wos |
A1995RM01600007 |
Publication Date |
2006-04-28 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0026-8976;1362-3028; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.72 |
Times cited |
19 |
Open Access |
|
Notes |
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Approved |
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Call Number |
UA @ lucian @ c:irua:12279 |
Serial |
3276 |
Permanent link to this record |
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Author |
Chen, Y.; Shanenko, A.A.; Peeters, F.M. |
Title |
Superconducting transition temperature of Pb nanofilms : impact of thickness-dependent oscillations of the phonon-mediated electron-electron coupling |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
85 |
Issue |
22 |
Pages |
224517-224517,6 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
To date, several experimental groups reported measurements of the thickness dependence of T-c of atomically uniform single-crystalline Pb nanofilms. The reported amplitude of the T-c oscillations varies significantly from one experiment to another. Here we propose that the reason for this unresolved issue is an interplay of the quantum-size variations in the single-electron density of states with thickness-dependent oscillations in the phonon-mediated electron-electron coupling. Such oscillations in the coupling depend on the substrate material, the quality of the interface, the protection cover, and other details of the fabrication process, changing from one experiment to another. This explains why the available data do not exhibit one-voice consistency about the amplitude of the T-c oscillations. Our analyses are based on a numerical solution of the Bogoliubov-de Gennes equations for a superconducting slab. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000305251300006 |
Publication Date |
2012-06-14 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
24 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:99076 |
Serial |
3368 |
Permanent link to this record |
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Author |
Michel, K.H.; Nikolaev, A.V. |
Title |
Theory of distinct crystal structures of polymerized fullerides AC60, A=K, Rb, Cs: the specific role of alkalis |
Type |
A1 Journal article |
Year |
2000 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
Volume |
85 |
Issue |
|
Pages |
3197-3200 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000089807800033 |
Publication Date |
2002-07-27 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0031-9007;1079-7114; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
8.462 |
Times cited |
16 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 8.462; 2000 IF: 6.462 |
Call Number |
UA @ lucian @ c:irua:34339 |
Serial |
3615 |
Permanent link to this record |
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Author |
Michel, K.H.; Verberck, B. |
Title |
Theory of rigid-plane phonon modes in layered crystals |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
85 |
Issue |
9 |
Pages |
094303-094303,11 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The lattice dynamics of low-frequency rigid-plane modes in metallic (graphene multilayers, GML) and in insulating (hexagonal boron-nitride multilayers, BNML) layered crystals is investigated. The frequencies of shearing and compression (stretching) modes depend on the layer number N and are presented in the form of fan diagrams. The results for GML and BNML are very similar. In both cases, only the interactions (van der Waals and Coulomb) between nearest-neighbor planes are effective, while the interactions between more distant planes are screened. A comparison with recent Raman scattering results on low-frequency shear modes in GML [Tan et al., Nat. Mater., in press, doi: 10.1038/nmat3245, (2012)] is made. Relations with the low-lying rigid-plane phonon dispersions in the bulk materials are established. Master curves, which connect the fan diagram frequencies for any given N, are derived. Static and dynamic thermal correlation functions for rigid-layer shear and compression modes are calculated. The results might be of use for the interpretation of friction force experiments on multilayer crystals. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000301646000006 |
Publication Date |
2012-03-19 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
38 |
Open Access |
|
Notes |
; The authors are indebted to J. Maultzsch for bringing Ref. 20 to their attention. They thank D. Lamoen, F.M. Peeters, B. Trauzettel, and C. Van Haesendonck for useful discussions. This work has been financially supported by the Research Foundation Flanders (FWO). ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:97787 |
Serial |
3619 |
Permanent link to this record |
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|
|
Author |
Lucena, D.; Tkachenko, D.V.; Nelissen, K.; Misko, V.R.; Ferreira, W.P.; Farias, G.A.; Peeters, F.M. |
Title |
Transition from single-file to two-dimensional diffusion of interacting particles in a quasi-one-dimensional channel |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : E : statistical, nonlinear, and soft matter physics |
Abbreviated Journal |
Phys Rev E |
Volume |
85 |
Issue |
3:1 |
Pages |
031147-031147,12 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Diffusive properties of a monodisperse system of interacting particles confined to a quasi-one-dimensional channel are studied using molecular dynamics simulations. We calculate numerically the mean-squared displacement (MSD) and investigate the influence of the width of the channel (or the strength of the confinement potential) on diffusion in finite-size channels of different shapes (i.e., straight and circular). The transition from single-file diffusion to the two-dimensional diffusion regime is investigated. This transition [ regarding the calculation of the scaling exponent (alpha) of the MSD <Delta x(2)(t)> proportional to t(alpha)] as a function of the width of the channel is shown to change depending on the channel's confinement profile. In particular, the transition can be either smooth (i.e., for a parabolic confinement potential) or rather sharp (i.e., for a hard-wall potential), as distinct from infinite channels where this transition is abrupt. This result can be explained by qualitatively different distributions of the particle density for the different confinement potentials. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
Woodbury (NY) |
Editor |
|
Language |
|
Wos |
000302117900003 |
Publication Date |
2012-03-29 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1539-3755;1550-2376; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.366 |
Times cited |
38 |
Open Access |
|
Notes |
; This work was supported by CNPq, FUNCAP (Pronex grant), the “Odysseus” program of the Flemish Government, the Flemish Science Foundation (FWO-Vl), the bilateral program between Flanders and Brazil, and the collaborative program CNPq-FWO-Vl. ; |
Approved |
Most recent IF: 2.366; 2012 IF: 2.313 |
Call Number |
UA @ lucian @ c:irua:97784 |
Serial |
3699 |
Permanent link to this record |
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|
|
Author |
Mees, M.J.; Pourtois, G.; Neyts, E.C.; Thijsse, B.J.; Stesmans, A. |
Title |
Uniform-acceptance force-bias Monte Carlo method with time scale to study solid-state diffusion |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
85 |
Issue |
13 |
Pages |
134301-134301,9 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Monte Carlo (MC) methods have a long-standing history as partners of molecular dynamics (MD) to simulate the evolution of materials at the atomic scale. Among these techniques, the uniform-acceptance force-bias Monte Carlo (UFMC) method [ G. Dereli Mol. Simul. 8 351 (1992)] has recently attracted attention [ M. Timonova et al. Phys. Rev. B 81 144107 (2010)] thanks to its apparent capacity of being able to simulate physical processes in a reduced number of iterations compared to classical MD methods. The origin of this efficiency remains, however, unclear. In this work we derive a UFMC method starting from basic thermodynamic principles, which leads to an intuitive and unambiguous formalism. The approach includes a statistically relevant time step per Monte Carlo iteration, showing a significant speed-up compared to MD simulations. This time-stamped force-bias Monte Carlo (tfMC) formalism is tested on both simple one-dimensional and three-dimensional systems. Both test-cases give excellent results in agreement with analytical solutions and literature reports. The inclusion of a time scale, the simplicity of the method, and the enhancement of the time step compared to classical MD methods make this method very appealing for studying the dynamics of many-particle systems. |
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 |
000302290500001 |
Publication Date |
2012-04-03 |
Series Editor |
|
Series Title |
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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 |
31 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:97160 |
Serial |
3809 |
Permanent link to this record |
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|
Author |
Latimer, M.L.; Berdiyorov, G.R.; Xiao, Z.L.; Kwok, W.K.; Peeters, F.M. |
Title |
Vortex interaction enhanced saturation number and caging effect in a superconducting film with a honeycomb array of nanoscale holes |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
85 |
Issue |
1 |
Pages |
012505-012505,4 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The electrical transport properties of a MoGe thin film with a honeycomb array of nanoscale holes are investigated. The critical current of the system shows nonmatching anomalies as a function of applied magnetic field, enabling us to distinguish between multiquanta vortices trapped in the holes and interstitial vortices located between the holes. The number of vortices trapped in each hole is found to be larger than the saturation number predicted for an isolated hole and shows a nonlinear field dependence, leading to the caging effect as predicted from the Ginzburg-Landau (GL) theory. Our experimental results are supplemented by numerical simulations based on the GL theory. |
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 |
000299867200001 |
Publication Date |
2012-01-26 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
41 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP) (theory) and by the US Department of Energy (DOE) Grant No. DE-FG02-06ER46334 (experiment). G. R. B. acknowledges an individual grant from FWO-Vl. W. K. K. acknowledges support from DOE BES under Contract No. DE-AC02-06CH11357, which also funds Argonne's Center for Nanoscale Materials (CNM), where the focused-ion-beam milling was performed. M.L.L was a recipient of the NIU/ANL Distinguished Graduate Fellowship. ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:96224 |
Serial |
3866 |
Permanent link to this record |
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|
Author |
Pogosov, W.V.; Misko, V.R. |
Title |
Vortex quantum tunneling versus thermal activation in ultrathin superconducting nanoislands |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
85 |
Issue |
22 |
Pages |
224508-224508,5 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We consider two possible mechanisms for single-vortex fluctuative entry/exit through the surface barrier in ultrathin superconducting disk-shaped nanoislands made of Pb and consisting of just a few monoatomic layers, which can be fabricated using modern techniques. We estimate tunneling probabilities and establish criteria for the crossover between these two mechanisms depending on magnetic field and system sizes. For the case of vortex entry, quantum tunneling dominates on the major part of the temperature/flux phase diagram. For the case of vortex exit, thermal activation turns out to be more probable. This nontrivial result is due to the subtle balance between the barrier height and width, which determine rates of the thermal activation and quantum tunneling, respectively. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000304856600003 |
Publication Date |
2012-06-07 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
2 |
Open Access |
|
Notes |
; This work was supported by the “Odysseus” Program of the Flemish Government and the Flemish Science Foundation (FWO-Vl). W. V. P. acknowledges numerous discussions with A. O. Sboychakov and the support from the Dynasty Foundation, the RFBR (Project No. 12-02-00339), and RFBR-CNRS programme (Project No. 12-02-91055). ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:98908 |
Serial |
3882 |
Permanent link to this record |
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Author |
Monico, L.; Janssens, K.; Miliani, C.; van der Snickt, G.; Brunetti, B.G.; Guidi, M.C.; Radepont, M.; Cotte, M. |
Title |
Degradation process of lead chromate in paintings by Vincent van Gogh studied by means of spectromicroscopic methods : 4 : artificial aging of model samples of co-precipitates of lead chromate and lead sulfate |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
Volume |
85 |
Issue |
2 |
Pages |
860-867 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Previous investigations about the darkening of chrome yellow pigments revealed that this form of alteration is attributable to a reduction of the original Cr(VI) to Cr(III), and that the presence of sulfur-containing compounds, most often sulfates, plays a key role during this process. We recently demonstrated that different crystal forms of chrome yellow pigments (PbCrO4 and PbCr1xSxO4) are present in paintings by Vincent van Gogh. In the present work, we show how both the chemical composition and the crystalline structure of lead chromate-based pigments influence their stability. For this purpose, oil model samples made with in-house synthesized powders of PbCrO4 and PbCr1xSxO4 were artificially aged and characterized. We observed a profound darkening only for those paint models made with PbCr1xSxO4, rich in SO42 (x ≥ 0.4), and orthorhombic phases (>30 wt %). Cr and S K-edge micro X-ray absorption near edge structure investigations revealed in an unequivocal manner the formation of up to about 60% of Cr(III)-species in the outer layer of the most altered samples; conversely, independent of the paint models chemical composition, no change in the S-oxidation state was observed. Analyses employing UVvisible diffuse reflectance and Fourier transform infrared spectroscopy were performed on unaged and aged model samples in order to obtain additional information on the physicochemical changes induced by the aging treatment. |
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 |
000313668400032 |
Publication Date |
2012-10-10 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-2700; 5206-882x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.32 |
Times cited |
49 |
Open Access |
|
Notes |
; This research was supported by grants from ESRF (experiment EC-799), the Interuniversity Attraction Poles Programme-Belgian Science Policy (IUAP VI/16), and the BELSPO-SDD S2-ART (SD/RI/04) project. The text also presents results from GOA “XANES meets ELNES” (Research Fund University of Antwerp, Belgium) and FWO (Brussels, Belgium) projects G.0704.08 and G.01769.09. The EU FP7 programme CHARISMA (Grant Agreement 228330) and MIUR (PRIN08, Materiali e sistemi innovativi per la conservazione dell'arte contemporanea 2008 FFXXN9) are also acknowledged. ; |
Approved |
Most recent IF: 6.32; 2013 IF: 5.825 |
Call Number |
UA @ admin @ c:irua:110471 |
Serial |
5569 |
Permanent link to this record |
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Author |
Al Masud, M.M.; Moni, N.N.; Azadi, H.; Van Passel, S. |
Title |
Sustainability impacts of tidal river management : towards a conceptual framework |
Type |
A1 Journal article |
Year |
2018 |
Publication |
Ecological Indicators |
Abbreviated Journal |
Ecol Indic |
Volume |
85 |
Issue |
85 |
Pages |
451-467 |
Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM) |
Abstract |
The Southwest Coastal people of Bangladesh have introduced Tidal River Management (TRM) as an environmentally acceptable water resource management practice based on their indigenous knowledge of water logging of low lying coastal land. TRM helps to address problems resulting from different anthropogenic and structural development activities, and it has been successful in helping coastal communities to adapt to climate change and rising sea level vulnerability by forming new land in Tidal Basins. Hence, it is essential to measure sustainability impacts of TRM from the environmental, socio-economic and institutional perspectives. Therefore, firstly, the study identifies sustainability indicators of TRM considering ecosystem services and secondly, develops an inclusive conceptual framework to understand the important impacts of each indicator at various spatial and temporal scales. The conceptual framework is followed by the construction of a Sustainability Index of Tidal River Management (SITRM). It has advantages over the Ramsar Convention framework (2007) and the World Meteorological Organization (WMO) framework (2012) to measure water sustainability as it includes a sustainable model to project future vulnerability of the community, river and Tidal Basin, emphasizing on climate change issues. It also involves trade-offs analysis, livelihood analysis and SWOT (Strengths, Weaknesses, Opportunities and Threats) analysis for a complete impact assessment to enable decision-makers to focus on those services most likely to be of risks and weaknesses or opportunities and strengths for the sustainability of TRM. Moreover, the framework is a useful guide for policymakers in identifying the sustainability impacts of TRM so that they can choose best coping strategies for coastal people to effectively deal with adverse effects of water-logging and undesired climatic events as well as environmental and socio-economic changes in coastal areas. |
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 |
000430634500046 |
Publication Date |
2017-11-06 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
1470-160x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles |
Impact Factor |
3.898 |
Times cited |
7 |
Open Access |
|
Notes |
; ; |
Approved |
Most recent IF: 3.898 |
Call Number |
UA @ admin @ c:irua:149039 |
Serial |
6254 |
Permanent link to this record |
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Author |
György, K.; Ajtony, Z.; van Meel, K.; Van Grieken, R.; Czitrovszky, A.; Bencs, L. |
Title |
Fast heating induced impulse halogenation of refractory sample components in electrothermal atomic absorption spectrometry by direct injection of a liquid halogenating agent |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Talanta : the international journal of pure and applied analytical chemistry |
Abbreviated Journal |
|
Volume |
85 |
Issue |
3 |
Pages |
1253-1259 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
A novel electrothermal atomic absorption spectrometry (ETAAS) method was developed for the halogenation of refractory sample components (Er, Nd and Nb) of lithium niobate (LiNbO3) and bismuth tellurite (Bi2TeO5) optical single crystals to overcome memory effects and carry-over. For this purpose, the cleaning step of a regular graphite furnace heating program was replaced with a halogenation cycle. In this cycle, after the graphite tube cooled to room temperature, a 20 μL aliquot of liquid carbon tetrachloride (CCl4) was dispensed with a conventional autosampler into the graphite tube. The CCl4 was partially dried at 80 °C under the mini-flow (40 cm3 min−1) condition of the Ar internal furnace gas (IFG), then the residue was decomposed (pyrolyzed) by fast furnace heating at 19002100 °C under interrupted flow of the IFG. This step was followed by a clean-out stage at 2100 °C under the maximum flow of the IFG. The advantage of the present method is that it does not require any alteration to the graphite furnace gas supply system in contrast to most of the formerly introduced halogenation techniques. The effectiveness of the halogenation method was verified with the determination of Er and Nd dopants in the optical crystals. In these analyses, a sensitivity decrease was observed, which was likely due to the enhanced deterioration of the graphite tube surface. Therefore, the application of mathematical correction (resloping) of the calibration was also required. The calibration curves were linear up to 1.5 and 10 μmol L−1 for Er and Nd, respectively. Characteristic masses of 18 and 241 pg and the limit of detection (LOD) values of 0.017 and 0.27 μmol L−1 were found for Er and Nd, respectively. These LOD data correspond to 0.68 μmol mol−1 Er and 11 μmol mol−1 Nd in solid bismuth tellurite samples. The analytical results were compared with those obtained by a conventional ETAAS method and validated with X-ray fluorescence spectrometry analysis. |
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 |
000294092800006 |
Publication Date |
2011-05-27 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
0039-9140; 1873-3573 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:91721 |
Serial |
7960 |
Permanent link to this record |
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Author |
Mortier, S.T.F.C.; Van Hoey, S.; Cierkens, K.; Gernaey, K.V.; Seuntjens, P.; De Baets, B.; De Beer, T.; Nopens, I. |
Title |
A GLUE uncertainty analysis of a drying model of pharmaceutical granules |
Type |
A1 Journal article |
Year |
2013 |
Publication |
European journal of pharmaceutics and biopharmaceutics |
Abbreviated Journal |
|
Volume |
85 |
Issue |
3:b |
Pages |
984-995 |
Keywords |
A1 Journal article; Pharmacology. Therapy; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
A shift from batch processing towards continuous processing is of interest in the pharmaceutical industry. However, this transition requires detailed knowledge and process understanding of all consecutive unit operations in a continuous manufacturing line to design adequate control strategies. This can be facilitated by developing mechanistic models of the multi-phase systems in the process. Since modelling efforts only started recently in this field, uncertainties about the model predictions are generally neglected. However, model predictions have an inherent uncertainty (i.e. prediction uncertainty) originating from uncertainty in input data, model parameters, model structure, boundary conditions and software. In this paper, the model prediction uncertainty is evaluated for a model describing the continuous drying of single pharmaceutical wet granules in a six-segmented fluidized bed drying unit, which is part of the full continuous from-powder-to-tablet manufacturing line (Consigma (TM), GEA Pharma Systems). A validated model describing the drying behaviour of a single pharmaceutical granule in two consecutive phases is used. First of all, the effect of the assumptions at the particle level on the prediction uncertainty is assessed. Secondly, the paper focuses on the influence of the most sensitive parameters in the model. Finally, a combined analysis (particle level plus most sensitive parameters) is performed and discussed. To propagate the uncertainty originating from the parameter uncertainty to the model output, the Generalized Likelihood Uncertainty Estimation (GLUE) method is used. This method enables a modeller to incorporate the information obtained from the experimental data in the assessment of the uncertain model predictions and to find a balance between model performance and data precision. A detailed evaluation of the obtained uncertainty analysis results is made with respect to the model structure, interactions between parameters and uncertainty boundaries. (C) 2013 Elsevier B.V. All rights reserved. |
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Wos |
000330200800019 |
Publication Date |
2013-03-29 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0939-6411 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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 |
Call Number |
UA @ admin @ c:irua:114876 |
Serial |
8005 |
Permanent link to this record |
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Author |
Semenov, M.Y.; Spolnik, Z.; Granina, L.; Van Grieken, R. |
Title |
Ultra-thin window electron probe microanalysis of suspended particles in tributaries of Lake Baikal, Siberia |
Type |
A1 Journal article |
Year |
2005 |
Publication |
International journal of environmental analytical chemistry |
Abbreviated Journal |
|
Volume |
85 |
Issue |
6 |
Pages |
377-386 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
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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 |
000229611800003 |
Publication Date |
2007-07-07 |
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 |
0306-7319 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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 |
Call Number |
UA @ admin @ c:irua:52360 |
Serial |
8701 |
Permanent link to this record |
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Author |
Loenders, B.; Michiels, R.; Bogaerts, A. |
Title |
Is a catalyst always beneficial in plasma catalysis? Insights from the many physical and chemical interactions |
Type |
A1 Journal Article |
Year |
2023 |
Publication |
Journal of Energy Chemistry |
Abbreviated Journal |
Journal of Energy Chemistry |
Volume |
85 |
Issue |
|
Pages |
501-533 |
Keywords |
A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; |
Abstract |
Plasma-catalytic dry reforming of CH4 (DRM) is promising to convert the greenhouse gasses CH4 and CO2 into value-added chemicals, thus simultaneously providing an alternative to fossil resources as feedstock for the chemical industry. However, while many experiments have been dedicated to plasma-catalytic DRM, there is no consensus yet in literature on the optimal choice of catalyst for targeted products, because the underlying mechanisms are far from understood. Indeed, plasma catalysis is very complex, as it encompasses various chemical and physical interactions between plasma and catalyst, which depend on many parameters. This complexity hampers the comparison of experimental results from different studies, which, in our opinion, is an important bottleneck in the further development of this promising research field. Hence, in this perspective paper, we describe the important physical and chemical effects that should be accounted for when designing plasma-catalytic experiments in general, highlighting the need for standardized experimental setups, as well as careful documentation of packing properties and reaction conditions, to further advance this research field. On the other hand, many parameters also create many windows of opportunity for further optimizing plasma-catalytic systems. Finally, various experiments also reveal the lack of improvement in plasma catalysis compared to plasma-only, specifically for DRM, but the underlying mechanisms are unclear. Therefore, we present our newly developed coupled plasma-surface kinetics model for DRM, to provide more insight in the underlying reasons. Our model illustrates that transition metal catalysts can adversely affect plasmacatalytic DRM, if radicals dominate the plasma-catalyst interactions. Thus, we demonstrate that a good understanding of the plasma-catalyst interactions is crucial to avoiding conditions at which these interactions negatively affect the results, and we provide some recommendations for improvement. For instance, we believe that plasma-catalytic DRM may benefit more from higher reaction temperatures, at which vibrational excitation can enhance the surface reactions. |
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Place of Publication |
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Wos |
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Publication Date |
2023-06-30 |
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 |
2095-4956 |
ISBN |
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Additional Links |
UA library record |
Impact Factor |
13.1 |
Times cited |
|
Open Access |
Not_Open_Access |
Notes |
This research was supported by the FWO-SBO project PlasMa- CatDESIGN (FWO grant ID S001619N), the FWO fellowship of R. Michiels (FWO grant ID 1114921N), and the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No 810182 – SCOPE ERC Synergy project). The computational resources and services used in this work were provided by the HPC core facility CalcUA of the Universiteit Antwerpen, and VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government. |
Approved |
Most recent IF: 13.1; 2023 IF: 2.594 |
Call Number |
PLASMANT @ plasmant @c:irua:198159 |
Serial |
8806 |
Permanent link to this record |
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Author |
Schowalter, M.; Titantah, J.T.; Lamoen, D.; Kruse, P. |
Title |
Ab initio computation of the mean inner Coulomb potential of amorphous carbon structures |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
86 |
Issue |
|
Pages |
112102 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
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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 |
000228050700042 |
Publication Date |
2005-03-04 |
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 |
Impact Factor |
3.411 |
Times cited |
15 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.411; 2005 IF: 4.127 |
Call Number |
UA @ lucian @ c:irua:51764 |
Serial |
31 |
Permanent link to this record |
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|
|
Author |
Matsubara, M.; Amini, M.N.; Saniz, R.; Lamoen, D.; Partoens, B. |
Title |
Attracting shallow donors : hydrogen passivation in (Al,Ga,In)-doped ZnO |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
86 |
Issue |
16 |
Pages |
165207 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
Abstract |
The hydrogen interstitial and the substitutional AlZn, GaZn, and InZn are all shallow donors in ZnO and lead to n-type conductivity. Although shallow donors are expected to repel each other, we show by first-principles calculations that in ZnO these shallow donor impurities attract and form a complex, leading to a donor level deep in the band gap. This puts a limit on the n-type conductivity of (Al,Ga,In)-doped ZnO in the presence of hydrogen. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
|
Language |
|
Wos |
000310131300008 |
Publication Date |
2012-10-22 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
7 |
Open Access |
|
Notes |
Iwt; Fwo; Bof-Noi |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:101780 |
Serial |
202 |
Permanent link to this record |
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Author |
Shanenko, A.A.; Croitoru, M.D.; Vagov, A.V.; Axt, V.M.; Perali, A.; Peeters, F.M. |
Title |
Atypical BCS-BEC crossover induced by quantum-size effects |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : A : atomic, molecular and optical physics |
Abbreviated Journal |
Phys Rev A |
Volume |
86 |
Issue |
3 |
Pages |
033612 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Quantum-size oscillations of the basic physical characteristics of a confined fermionic condensate are a well-known phenomenon. Its conventional understanding is based on the single-particle physics, whereby the oscillations follow variations in the single-particle density of states driven by the size quantization. Here we present a study of a cigar-shaped ultracold superfluid Fermi gas, which demonstrates an important many-body aspect of the quantum-size coherent effects, overlooked previously. The many-body physics is revealed here in the atypical crossover from the Bardeen-Cooper-Schrieffer (BCS) superfluid to the Bose-Einstein condensate (BEC) induced by the size quantization of the particle motion. The single-particle energy spectrum for the transverse dimensions is tightly bound, whereas for the longitudinal direction it resembles a quasi-free dispersion. This results in the formation of a series of single-particle subbands (shells) so that the aggregate fermionic condensate becomes a coherent mixture of subband condensates. Each time when the lower edge of a subband crosses the chemical potential, the BCS-BEC crossover is approached in this subband, and the aggregate condensate contains both BCS and BEC-like components. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
|
Language |
|
Wos |
000308639500004 |
Publication Date |
2012-09-15 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1050-2947;1094-1622; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.925 |
Times cited |
34 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl). The authors thank C. Salomon and C. Vale for their valuable explications of the experimental situation and interest to our work. We are grateful to G. C. Strinati, D. Neilson, and P. Pieri for useful discussions. M. D. C. acknowledges support of the EU Marie Curie IEF Action (Grant Agreement No. PIEF-GA-2009-235486-ScQSR). A. P. gratefully acknowledges financial support of the European Science Foundation, POLATOM Research Networking Programme, Ref. No. 4844 for his visit to the University of Antwerp. A. A. S. acknowledges financial support of the European Science Foundation, POLATOM Research Networking Programme, Ref. No. 5200 for his visit to the University of Camerino. ; |
Approved |
Most recent IF: 2.925; 2012 IF: 3.042 |
Call Number |
UA @ lucian @ c:irua:101844 |
Serial |
203 |
Permanent link to this record |
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Author |
Lu, Y.-G.; Turner, S.; Ekimov, E.A.; Verbeeck, J.; Van Tendeloo, G. |
Title |
Boron-rich inclusions and boron distribution in HPHT polycrystalline superconducting diamond |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
Volume |
86 |
Issue |
86 |
Pages |
156-162 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Polycrystalline boron-doped superconducting diamond, synthesized at high pressure and high temperature (HPHT) via a reaction of a single piece of crystalline boron with monolithic graphite, has been investigated by analytical transmission electron microscopy. The local boron distribution and boron environment have been studied by a combination of (scanning) transmission electron microscopy ((S)TEM) and spatially resolved electron energy-loss spectroscopy (EELS). High resolution TEM imaging and EELS elemental mapping have established, for the first time, the presence of largely crystalline diamond-diamond grain boundaries within the material and have evidenced the presence of substitutional boron dopants within individual diamond grains. Confirmation of the presence of substitutional B dopants has been obtained through comparison of acquired boron K-edge EELS fine structures with known references. This confirmation is important to understand the origin of superconductivity in polycrystalline B-doped diamond. In addition to the substitutional boron doping, boron-rich inclusions and triple-points, both amorphous and crystalline, with chemical compositions close to boron carbide B4C, are evidenced. (C) 2015 Elsevier Ltd. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Oxford |
Editor |
|
Language |
|
Wos |
000352922700019 |
Publication Date |
2015-01-22 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0008-6223; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.337 |
Times cited |
20 |
Open Access |
|
Notes |
FWO; 246791 COUNTATOMS; 278510 VORTEX; Hercules ECASJO_; |
Approved |
Most recent IF: 6.337; 2015 IF: 6.196 |
Call Number |
c:irua:125994UA @ admin @ c:irua:125994 |
Serial |
250 |
Permanent link to this record |
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Author |
Ghica, C.; Nistor, L.C.; Bender, H.; Richard, O.; Van Tendeloo, G.; Ulyashin, A.; |
Title |
Characterization of {111} planar defects induced in silicon by hydrogen plasma treatments |
Type |
A1 Journal article |
Year |
2006 |
Publication |
Philosophical magazine |
Abbreviated Journal |
Philos Mag |
Volume |
86 |
Issue |
32 |
Pages |
5137-5151 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000239756300010 |
Publication Date |
2006-07-27 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1478-6435;1478-6443; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.505 |
Times cited |
12 |
Open Access |
|
Notes |
Bil 01/73 |
Approved |
Most recent IF: 1.505; 2006 IF: 1.354 |
Call Number |
UA @ lucian @ c:irua:60895 |
Serial |
315 |
Permanent link to this record |
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Author |
Sena, S.H.R.; Pereira, J.M.; Farias, G.A.; Peeters, F.M. |
Title |
Cyclotron resonance of trilayer graphene |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
86 |
Issue |
8 |
Pages |
085412 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The cyclotron resonance energies, the corresponding oscillator strengths, and the cyclotron absorption spectrum for trilayer graphene are calculated for both ABA and ABC stacking. A gate potential across the stacked layers leads to (1) a reduction of the transition energies, (2) a lifting of the degeneracy of the zero Landau level, and (3) the removal of the electron-hole symmetry. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000307273100009 |
Publication Date |
2012-08-08 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
7 |
Open Access |
|
Notes |
; This work was supported by the National Council for the Improvement of Higher education (CAPES), the Brazilian Council for Research (CNPq), the Flemish Science Foundation (FWO-V1), the bilateral projects between Flanders and Brazil and the CNPq and FWO-V1, and the ESF-Eurographene project CONGRAN. ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:100815 |
Serial |
604 |
Permanent link to this record |
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Author |
Schryvers, D.; Van Aert, S.; Delville, R.; Idrissi, H.; Turner, S.; Salje, E.K.H. |
Title |
Dedicated TEM on domain boundaries from phase transformations and crystal growth |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Phase transitions |
Abbreviated Journal |
Phase Transit |
Volume |
86 |
Issue |
1 |
Pages |
15-22 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Investigating domain boundaries and their effects on the behaviour of materials automatically implies the need for detailed knowledge on the structural aspects of the atomic configurations at these interfaces. Not only in view of nearest neighbour interactions but also at a larger scale, often surpassing the unit cell, the boundaries can contain structural elements that do not exist in the bulk. In the present contribution, a number of special boundaries resulting from phase transformations or crystal growth and those recently investigated by advanced transmission electron microscopy techniques in different systems will be reviewed. These include macrotwins between microtwinned martensite plates in NiAl, austenite-single variant martensite habit planes in low hysteresis NiTiPd, nanotwins in non-textured nanostructured Pd and ferroelastic domain boundaries in CaTiO3. In all discussed cases these boundaries play an essential role in the properties of the respective materials. |
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 |
|
Language |
|
Wos |
000312586700003 |
Publication Date |
2012-12-19 |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0141-1594;1029-0338; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.06 |
Times cited |
|
Open Access |
|
Notes |
Fwo; Iap |
Approved |
Most recent IF: 1.06; 2013 IF: 1.044 |
Call Number |
UA @ lucian @ c:irua:101222 |
Serial |
612 |
Permanent link to this record |