Records |
Author |
Chang, C.C.; Michels, J.G.; Cheng, H.H.; Nicholas, R.J.; Peeters, F.M.; Wu, X.G.; Ossau, W.; Waag, A.; Landwehr, G. |
Title |
A cyclotron resonance study of the resonant polaron coupling in CdTe/CdMgTe quantum wells |
Type |
P3 Proceeding |
Year |
1997 |
Publication |
|
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
383-386 |
Keywords |
P3 Proceeding; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher ![sorted by Publisher field, descending order (down)](img/sort_desc.gif) |
World Scientific |
Place of Publication |
Singapore |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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 |
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ISBN |
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Additional Links |
UA library record |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:19306 |
Serial |
605 |
Permanent link to this record |
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|
|
Author |
Michel, K.H.; Copley, J.R.D. |
Title |
Orientation fluctuations, diffuse scattering and orientational order in solid C60 |
Type |
H3 Book chapter |
Year |
1996 |
Publication |
|
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
381-384 |
Keywords |
H3 Book chapter; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher ![sorted by Publisher field, descending order (down)](img/sort_desc.gif) |
World Scientific |
Place of Publication |
Singapore |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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 |
Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
COMPUTER SCIENCE, INTERDISCIPLINARY 11/104 Q1 # PHYSICS, MATHEMATICAL 1/53 Q1 # |
Call Number |
UA @ lucian @ c:irua:16358 |
Serial |
2512 |
Permanent link to this record |
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|
|
Author |
Nikolaev, A.V.; Michel, K.H.; Copley, J.R.D. |
Title |
Orientational disorder and order in C60-fullerite and in MC60-alkali metal fullerides |
Type |
H3 Book chapter |
Year |
1999 |
Publication |
|
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
183-214 |
Keywords |
H3 Book chapter; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher ![sorted by Publisher field, descending order (down)](img/sort_desc.gif) |
Plenum Press |
Place of Publication |
New York |
Editor |
|
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
|
ISBN |
|
Additional Links |
UA library record |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:28505 |
Serial |
2515 |
Permanent link to this record |
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|
|
Author |
Bussmann-Holder, A.; Dalal, N.; Michel, K.H. |
Title |
Polarizability induced cooperative proton ordering, coexistence of order/disorder and displacive dynamics and isotope effects in hydrogen-bonded systems |
Type |
A1 Journal article |
Year |
2000 |
Publication |
The journal of physics and chemistry of solids
T2 – Williamsburg Workshop on Ferroelectrics 99, JAN 31-FEB 03, 1999, WILLIAMSBURG, VIRGINIA |
Abbreviated Journal |
J Phys Chem Solids |
Volume |
61 |
Issue |
2 |
Pages |
271-274 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Despite the general belief that hydrogen-bonded ferro- and antiferroelectrics undergo a pure order/disorder transition at the structural instability, new NMR data and a new theoretical concept yield convincing evidence that a pronounced displacive component is present in these systems, which modifies substantially the temperature dependencies of the tunnel and lattice mode frequencies. The experiments and their interpretation are presented. (C) 1999 Elsevier Science Ltd. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher ![sorted by Publisher field, descending order (down)](img/sort_desc.gif) |
Pergamon-elsevier science ltd |
Place of Publication |
Oxford |
Editor |
|
Language |
|
Wos |
000084147000020 |
Publication Date |
2002-07-25 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-3697; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.059 |
Times cited |
8 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.059; 2000 IF: 1.003 |
Call Number |
UA @ lucian @ c:irua:103469 |
Serial |
2660 |
Permanent link to this record |
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|
|
Author |
Raveau, B.; Hervieu, M.; Michel, C.; Martin, C.; Maignan, A.; Van Tendeloo, G. |
Title |
Crystal chemistry of mercury based layered cuprates and oxycarbonates |
Type |
H3 Book chapter |
Year |
1995 |
Publication |
|
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
132-149 |
Keywords |
H3 Book chapter; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
|
Publisher ![sorted by Publisher field, descending order (down)](img/sort_desc.gif) |
Narosa |
Place of Publication |
New Delhi |
Editor |
|
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
|
ISBN |
|
Additional Links |
UA library record |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:13313 |
Serial |
552 |
Permanent link to this record |
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|
|
Author |
Michel, K.H.; Çakir, D.; Sevik, C.; Peeters, F.M. |
Title |
Piezoelectricity in two-dimensional materials : comparative study between lattice dynamics and ab initio calculations |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
Volume |
95 |
Issue |
95 |
Pages |
125415 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The elastic constant C-11 and piezoelectric stress constant e(1),(11) of two-dimensional (2D) dielectric materials comprising h-BN, 2H-MoS2, and other transition-metal dichalcogenides and dioxides are calculated using lattice dynamical theory. The results are compared with corresponding quantities obtained with ab initio calculations. We identify the difference between clamped-ion and relaxed-ion contributions with the dependence on inner strains which are due to the relative displacements of the ions in the unit cell. Lattice dynamics allows us to express the inner-strain contributions in terms of microscopic quantities such as effective ionic charges and optoacoustical couplings, which allows us to clarify differences in the piezoelectric behavior between h-BN and MoS2. Trends in the different microscopic quantities as functions of atomic composition are discussed. |
Address |
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Corporate Author |
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Thesis |
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Publisher ![sorted by Publisher field, descending order (down)](img/sort_desc.gif) |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
|
Language |
|
Wos |
000396013400005 |
Publication Date |
2017-03-11 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
29 |
Open Access |
|
Notes |
; The authors acknowledge useful discussions with L. Wirtz and A. Molina-Sanchez. This work was supported by the Methusalem program and the Fonds voor Wetenschappelijk Onderzoek-Vlaanderen. Computational resources were provided by HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. ; |
Approved |
Most recent IF: 3.836 |
Call Number |
UA @ lucian @ c:irua:142444 |
Serial |
4603 |
Permanent link to this record |
|
|
|
Author |
Michel, K.H.; Scuracchio, P.; Peeters, F.M. |
Title |
Sound waves and flexural mode dynamics in two-dimensional crystals |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
Volume |
96 |
Issue |
9 |
Pages |
094302 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Starting from a Hamiltonian with anharmonic coupling between in-plane acoustic displacements and outof-plane (flexural) modes, we derived coupled equations of motion for in-plane displacements correlations and flexural mode density fluctuations. Linear response theory and time-dependent thermal Green's functions techniques are applied in order to obtain different response functions. As external perturbations we allow for stresses and thermal heat sources. The displacement correlations are described by a Dyson equation where the flexural density distribution enters as an additional perturbation. The flexural density distribution satisfies a kinetic equation where the in-plane lattice displacements act as a perturbation. In the hydrodynamic limit this system of coupled equations is at the basis of a unified description of elastic and thermal phenomena, such as isothermal versus adiabatic sound motion and thermal conductivity versus second sound. The general theory is formulated in view of application to graphene, two-dimensional h-BN, and 2H-transition metal dichalcogenides and oxides. |
Address |
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Corporate Author |
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Thesis |
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Publisher ![sorted by Publisher field, descending order (down)](img/sort_desc.gif) |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
|
Language |
|
Wos |
000409246200003 |
Publication Date |
2017-09-05 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
6 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program. ; |
Approved |
Most recent IF: 3.836 |
Call Number |
UA @ lucian @ c:irua:145630 |
Serial |
4751 |
Permanent link to this record |
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|
|
Author |
Michel, K.H.; Verberck, B.; Nikolaev, A. |
Title |
Mercator maps of orientations of a C60 molecule in single-walled nanotubes with distinct radii |
Type |
A1 Journal article |
Year |
2005 |
Publication |
AIP conference proceedings |
Abbreviated Journal |
|
Volume |
786 |
Issue |
|
Pages |
69-72 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We study the confinement of a C-60 molecule encapsulated in a cylindrical nanotube as a function of the tube radius. Drawing the Mercator maps of the potential, we find two distinct molecular orientations; for tubes with small radii, R-T less than or similar to 7 angstrom, a fivefold axis of the molecule coincides with the tube long axis, for larger radii, R-T less than or similar to 8 angstrom, a threefold axis of the molecule coincides with the tube long axis. These different orientations are caused by the relative importance of the repulsive and the attractive parts of the van der Waals potentials of the molecule with the tube wall for small and large tubes respectively. Experimental evidence is provided by the apparent splitting of A(g) modes of the C-60 molecule in resonant Raman scattering. |
Address |
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Corporate Author |
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Thesis |
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Publisher ![sorted by Publisher field, descending order (down)](img/sort_desc.gif) |
Amer inst physics |
Place of Publication |
Melville |
Editor |
|
Language |
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Wos |
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Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0094-243x |
ISBN |
|
Additional Links |
UA library record; WoS full record; |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:94738 |
Serial |
1993 |
Permanent link to this record |
|
|
|
Author |
Nikolaev, A.V.; Michel, K.H. |
Title |
Elusive s-f intrasite interactions and double exchange in solids: ferromagnetic versus nonmagnetic ground state |
Type |
A1 Journal article |
Year |
2009 |
Publication |
Journal of experimental and theoretical physics |
Abbreviated Journal |
J Exp Theor Phys+ |
Volume |
109 |
Issue |
2 |
Pages |
286-292 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
From the theory of many-electron states in atoms, we know that there exists a strong Coulomb repulsion, which results in the electronic term structure of atoms and is responsible for Hunds rules. By expanding the Coulomb on-site repulsion into a multipolar series, we derive this interaction and show that it is also present in solids as a correlation effect, which means that the interaction requires a multideterminant version of the Hartree-Fock method. Of particular interest is the case where this interaction couples states of localized ( f) and delocalized ( s) electrons. We show that the interaction is bilinear in the creation/annihilation operators for localized electrons and bilinear in the operators for conduction electrons. To study the coupling, we consider a simple model in the framework of an effective limited configuration interaction method with one localized f-electron and one itinerant s-electron per crystal site. The on-site multipole interaction between the f- and s-electrons is explicitly taken into account. It is shown that depending on the low-lying excitation spectrum imposed by the crystal electric field, the model can lead not only to ferromagnetism but also to a nonmagnetic state. The model is relevant for solids with localized and itinerant electron states. |
Address |
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Corporate Author |
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Thesis |
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Publisher ![sorted by Publisher field, descending order (down)](img/sort_desc.gif) |
|
Place of Publication |
Woodbury, N.Y. |
Editor |
|
Language |
|
Wos |
000270506500014 |
Publication Date |
2009-09-18 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1063-7761;1090-6509; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.196 |
Times cited |
3 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.196; 2009 IF: 0.871 |
Call Number |
UA @ lucian @ c:irua:79163 |
Serial |
1027 |
Permanent link to this record |
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|
|
Author |
Hadermann, J.; Pérez, O.; Créon, N.; Michel, C.; Hervieu, M. |
Title |
The (3 + 2)D structure of oxygen deficient LaSrCuO3.52 |
Type |
A1 Journal article |
Year |
2007 |
Publication |
Journal of materials chemistry |
Abbreviated Journal |
J Mater Chem |
Volume |
17 |
Issue |
22 |
Pages |
2344-2350 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
|
Publisher ![sorted by Publisher field, descending order (down)](img/sort_desc.gif) |
|
Place of Publication |
Cambridge |
Editor |
|
Language |
|
Wos |
000247349400020 |
Publication Date |
2007-04-18 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0959-9428;1364-5501; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
7 |
Open Access |
|
Notes |
Supergmr:Hprn-Ct-2000-0021 |
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:64749 c:irua:64749 |
Serial |
13 |
Permanent link to this record |
|
|
|
Author |
Pelloquin, D.; Hervieu, M.; Michel, C.; Van Tendeloo, G.; Maignan, A.; Raveau, B. |
Title |
A 94K Hg-based superconductor with a “1212” structure HG0.5Bi0.5Sr2Ca1-xRxCu2O6+\delta (R=ND,Y,Pr) |
Type |
A1 Journal article |
Year |
1993 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
Volume |
216 |
Issue |
|
Pages |
257-263 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher ![sorted by Publisher field, descending order (down)](img/sort_desc.gif) |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
A1993ME74800004 |
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0921-4534 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
0.942 |
Times cited |
62 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:6844 |
Serial |
21 |
Permanent link to this record |
|
|
|
Author |
Nikolaev, A.V.; Michel, K.H. |
Title |
Ab initio approach to superexchange interactions in alkali doped fullerides AC60 |
Type |
P1 Proceeding |
Year |
2004 |
Publication |
AIP conference proceedings
T2 – 18th International Winterschool/Euroconference on Electronic Properties, of Novel Materials, MAR 06-JUN 13, 2004, Kirchberg, AUSTRIA |
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
393-396 |
Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
Abstract |
The superexchange interactions between the fullerenes arise as a result of the electron transfer from the C-60 molecule to the alkali atom and back. We present a scheme, which is a configuration interaction approach based on the valence bond (Heitler-London) method. The effect of superexchange is described together with chemical bonding by constructing and solving a secular equation, rather than by using a perturbation treatment. We have considered 180degrees and 90degrees superexchange for the C-60 Cs-C-60 pathways. The calculations account for unusual electronic properties of polymer orthorhombic and quenched cubic phases of CsC60: two lines in nuclear magnetic resonance experiments, the development of a spin-singlet ground state and a decrease of magnetic susceptibility as T-->0. |
Address |
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Corporate Author |
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Thesis |
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Publisher ![sorted by Publisher field, descending order (down)](img/sort_desc.gif) |
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Place of Publication |
New York |
Editor |
|
Language |
|
Wos |
000224699400085 |
Publication Date |
2004-11-11 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
723 |
Series Issue |
|
Edition |
|
ISSN |
0-7354-0204-3 |
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:103752 |
Serial |
27 |
Permanent link to this record |
|
|
|
Author |
Michel, K.H.; Verberck, B.; Nikolaev, A.V. |
Title |
Anisotropic packing and one-dimensional fluctuations of C60 molecules in carbon nanotubes |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
Volume |
95 |
Issue |
18 |
Pages |
185506-185506,4 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The confinement of a C-60 molecule encapsulated in a cylindrical nanotube depends on the tube radius. In small tubes with radius R-T less than or similar to 7 A, a fivefold axis of the molecule coincides with the tube axis. The interaction between C-60 molecules in the nanotube is then described by a O-2-rotor model on a 1D liquid chain with coupling between orientational and displacive correlations. This coupling leads to chain contraction. The structure factor of the 1D liquid is derived. In tubes with a larger radius the molecular centers of mass are displaced off the tube axis. The distinction of two groups of peapods with on- and off-axis molecules suggests an explanation of the apparent splitting of A(g) modes of C-60 in nanotubes measured by resonant Raman scattering. |
Address |
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Corporate Author |
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Thesis |
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Publisher ![sorted by Publisher field, descending order (down)](img/sort_desc.gif) |
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Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000232887400041 |
Publication Date |
2005-10-28 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0031-9007;1079-7114; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
8.462 |
Times cited |
40 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 8.462; 2005 IF: 7.489 |
Call Number |
UA @ lucian @ c:irua:94717 |
Serial |
127 |
Permanent link to this record |
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|
|
Author |
Verberck, B.; Michel, K.H. |
Title |
Anisotropic packing of C-70 molecules in carbon nanotubes |
Type |
A1 Journal article |
Year |
2007 |
Publication |
Physica status solidi B-basic solid state physics |
Abbreviated Journal |
Phys Status Solidi B |
Volume |
244 |
Issue |
11 |
Pages |
4279-4282 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher ![sorted by Publisher field, descending order (down)](img/sort_desc.gif) |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000251355800092 |
Publication Date |
2007-10-19 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0370-1972;1521-3951; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
1.674 |
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.674; 2007 IF: 1.071 |
Call Number |
UA @ lucian @ c:irua:67350 |
Serial |
128 |
Permanent link to this record |
|
|
|
Author |
Bussmann-Holder, A.; Michel, K.H. |
Title |
Bond geometry and phase transition mechanism of H-bonded ferroelectricity |
Type |
A1 Journal article |
Year |
1998 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
Volume |
80 |
Issue |
|
Pages |
2173-2176 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher ![sorted by Publisher field, descending order (down)](img/sort_desc.gif) |
|
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000072385400037 |
Publication Date |
2002-07-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0031-9007;1079-7114; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
8.462 |
Times cited |
81 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 8.462; 1998 IF: 6.017 |
Call Number |
UA @ lucian @ c:irua:23987 |
Serial |
246 |
Permanent link to this record |
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Author |
Neek-Amal, M.; Beheshtian, J.; Sadeghi, A.; Michel, K.H.; Peeters, F.M. |
Title |
Boron nitride mono layer : a strain-tunable nanosensor |
Type |
A1 Journal article |
Year |
2013 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
Volume |
117 |
Issue |
25 |
Pages |
13261-13267 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
The influence of triaxial in-plane strain on the electronic properties of a hexagonal boron-nitride sheet is investigated using density functional theory. Different from graphene, the triaxial strain localizes the molecular orbitals of the boron-nitride flake in its center depending on the direction of the applied strain. The proposed technique for localizing the molecular orbitals that are close to the Fermi level in the center of boron nitride flakes can be used to actualize engineered nanosensors, for instance, to selectively detect gas molecules. We show that the central part of the strained flake adsorbs polar molecules more strongly as compared with an unstrained sheet. |
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Corporate Author |
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Thesis |
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Publisher ![sorted by Publisher field, descending order (down)](img/sort_desc.gif) |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000321236400041 |
Publication Date |
2013-06-03 |
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 |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.536 |
Times cited |
38 |
Open Access |
|
Notes |
; This work was supported by the EU-Marie Curie IIF postdoc Fellowship/299855 (for M.N.-A.), the ESF EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-VI), and the Methusalem Funding of the Flemish government. AS. would like to thank the Universiteit Antwerpen for its hospitality. ; |
Approved |
Most recent IF: 4.536; 2013 IF: 4.835 |
Call Number |
UA @ lucian @ c:irua:109829 |
Serial |
249 |
Permanent link to this record |
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Author |
Nikolaev, A.V.; Prassides, K.; Michel, K.H. |
Title |
Charge transfer and polymer phases in AC60 (A=K, Rb, Cs) fullerides |
Type |
A1 Journal article |
Year |
1998 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
Volume |
108 |
Issue |
|
Pages |
4912-4923 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher ![sorted by Publisher field, descending order (down)](img/sort_desc.gif) |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000072588400025 |
Publication Date |
2002-07-26 |
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 |
0021-9606; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.965 |
Times cited |
14 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.965; 1998 IF: 3.147 |
Call Number |
UA @ lucian @ c:irua:23985 |
Serial |
338 |
Permanent link to this record |
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Author |
Raveau, B.; Michel, C.; Hervieu, M.; Van Tendeloo, G.; Martin, C.; Maignan, A. |
Title |
Copper oxycarbonates and mercury-based cuprates: promising high Tc superconductors |
Type |
A1 Journal article |
Year |
1994 |
Publication |
Journal of superconductivity |
Abbreviated Journal |
|
Volume |
7 |
Issue |
|
Pages |
9-18 |
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 ![sorted by Publisher field, descending order (down)](img/sort_desc.gif) |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
A1994NH48800002 |
Publication Date |
2004-12-02 |
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 |
0896-1107;1572-9605; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
6 |
Open Access |
|
Notes |
|
Approved |
COMPUTER SCIENCE, INTERDISCIPLINARY 11/104 Q1 # PHYSICS, MATHEMATICAL 1/53 Q1 # |
Call Number |
UA @ lucian @ c:irua:10042 |
Serial |
516 |
Permanent link to this record |
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Author |
Hervieu, M.; Michel, C.; Van Tendeloo, G.; Martin, C.; Maignan, A.; Raveau, B. |
Title |
Copper oxycarbonates and mercury based cuprates: structural mechanisms of new superconductors |
Type |
A1 Journal article |
Year |
1994 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
Volume |
235/240 |
Issue |
|
Pages |
25-28 |
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 ![sorted by Publisher field, descending order (down)](img/sort_desc.gif) |
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Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
A1994QA39000011 |
Publication Date |
2002-10-17 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0921-4534; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
0.942 |
Times cited |
8 |
Open Access |
|
Notes |
|
Approved |
COMPUTER SCIENCE, INTERDISCIPLINARY 11/104 Q1 # PHYSICS, MATHEMATICAL 1/53 Q1 # |
Call Number |
UA @ lucian @ c:irua:10046 |
Serial |
517 |
Permanent link to this record |
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|
Author |
Lamoen, D.; Michel, K.H. |
Title |
Coupling of orientational and translational modes in solid C60 and C70 |
Type |
A1 Journal article |
Year |
1999 |
Publication |
Phase transitions |
Abbreviated Journal |
Phase Transit |
Volume |
67 |
Issue |
|
Pages |
789 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher ![sorted by Publisher field, descending order (down)](img/sort_desc.gif) |
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Place of Publication |
New York |
Editor |
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Language |
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Wos |
000079806300017 |
Publication Date |
2007-07-08 |
Series Editor |
|
Series Title |
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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 |
2 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.06; 1999 IF: 0.622 |
Call Number |
UA @ lucian @ c:irua:27830 |
Serial |
537 |
Permanent link to this record |
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Author |
Lamoen, D.; Michel, K.H. |
Title |
Crystal field and molecular structure of solid C60 |
Type |
A1 Journal article |
Year |
1993 |
Publication |
Zeitschrift für Physik : B : condensed matter |
Abbreviated Journal |
|
Volume |
92 |
Issue |
|
Pages |
323-330 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The crystal field in the orientationally disordered phase of C90-fullerite is derived from an intermolecular potential model, which takes into account the geometric difference between double bonds and single bonds. The molecules are modelled as rigid bodies, atoms and single bonds are treated as single interaction centers, while double bonds are described by a distribution of interaction centers along the bond. The crystal field is expanded in terms of cubic rotator functions. The calculated expansion coefficients are compared with empirical values derived from diffraction data. The angular dependence of the crystal field, resulting from an anticlockwise rotation of the molecule around the [111] axis, exhibits an absolute and a secondary minimum at angles of 98-degrees and 38-degrees respectively. The self interaction of the molecule in a deformable lattice is investigated. |
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Corporate Author |
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Thesis |
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Publisher ![sorted by Publisher field, descending order (down)](img/sort_desc.gif) |
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Place of Publication |
Berlin |
Editor |
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Language |
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Wos |
A1993MC88000005 |
Publication Date |
2005-03-25 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
0722-3277;1434-6036; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
25 |
Open Access |
|
Notes |
|
Approved |
PHYSICS, CONDENSED MATTER 11/54 Q1 # |
Call Number |
UA @ lucian @ c:irua:5777 |
Serial |
553 |
Permanent link to this record |
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Author |
Lamoen, D.; Michel, K.H. |
Title |
Crystal field, orientational order, and lattice contraction in solid C60 |
Type |
A1 Journal article |
Year |
1994 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
Volume |
101 |
Issue |
|
Pages |
1435-1443 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
A model of the intermolecular potential in solid C-60, which is based on Born-Mayer repulsions, van der Waals attractions, and electrostatic multipoles, is presented. The potential is expanded in terms of multipolar rotator functions. The orientation-orientation interaction and the crystal field are calculated. The orientational phase transition to the Pa3 phase is studied with the methods of statistical mechanics. The discontinuity of the order parameter at the transition and the temperature evolution of the order parameter are calculated. The lattice contraction at the phase transition is evaluated. The influence of the lattice contraction on the crystal field and on the orientational order is studied. |
Address |
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Corporate Author |
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Thesis |
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Publisher ![sorted by Publisher field, descending order (down)](img/sort_desc.gif) |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
A1994NW97900058 |
Publication Date |
2002-07-26 |
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 |
0021-9606; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.952 |
Times cited |
39 |
Open Access |
|
Notes |
|
Approved |
CHEMISTRY, PHYSICAL 54/144 Q2 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 9/35 Q2 # |
Call Number |
UA @ lucian @ c:irua:9361 |
Serial |
554 |
Permanent link to this record |
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Author |
Verberck, B.; Michel, K.H.; Nikolaev, A.V. |
Title |
Crystal structures of polymerized fullerides AC60, A=K, Rb, Cs, and alkali-mediated interactions |
Type |
A1 Journal article |
Year |
2002 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
Volume |
116 |
Issue |
23 |
Pages |
10462-10474 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Starting from a model of rigid interacting C-60 polymer chains on an orthorhombic lattice, we study the mutual orientation of the chains and the stability of the crystalline structures Pmnn and I2/m. We take into account (i) van der Waals interactions and electric quadrupole interactions between C-60 monomers on different chains as well as (ii) interactions of the monomers with the surrounding alkali atoms. The direct interactions (i) always lead to an antiferrorotational structure Pmnn with alternate orientation of the C-60 chains in planes (001). The interactions (ii) with the alkalis consist of two parts: translation-rotation (TR) coupling where the orientations of the chains interact with displacements of the alkalis, and quadrupolar electronic polarizability (ep) coupling, where the electric quadrupoles on the C-60 monomers interact with induced quadrupoles due to excited electronic d-states of the alkalis. Both interactions (ii) lead to an effective orientation-orientation interaction between the C-60 chains and always favor the ferrorotational structure I2/m, where C-60 chains have a same orientation. The structures Pmnn for KC60 and I2/m for Rb- and CsC60 are the result of a competition between the direct interaction (i) and the alkali-mediated interactions (ii). In Rb- and CsC60 the latter are found to be dominant, the preponderant role being played by the quadrupolar electronic polarizability of the alkali ions. (C) 2002 American Institute of Physics. |
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Publisher ![sorted by Publisher field, descending order (down)](img/sort_desc.gif) |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000175905800044 |
Publication Date |
2002-07-26 |
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 |
0021-9606; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.965 |
Times cited |
12 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.965; 2002 IF: 2.998 |
Call Number |
UA @ lucian @ c:irua:103350 |
Serial |
578 |
Permanent link to this record |
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Author |
Bostoen, C.; Michel, K.H. |
Title |
Dynamics of a quadrupolar glass |
Type |
A1 Journal article |
Year |
1991 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
43 |
Issue |
|
Pages |
4415-4422 |
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 ![sorted by Publisher field, descending order (down)](img/sort_desc.gif) |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
A1991EX92100073 |
Publication Date |
0000-00-00 |
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; 0163-1829 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.736 |
Times cited |
33 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:939 |
Serial |
773 |
Permanent link to this record |
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Author |
Nikolaev, A.V.; Michel, K.H. |
Title |
Electric quadrupole interactions and the γ-α phase transition in Ce: the role of conduction electrons |
Type |
A1 Journal article |
Year |
2000 |
Publication |
European physical journal : B : condensed matter and complex systems |
Abbreviated Journal |
Eur Phys J B |
Volume |
17 |
Issue |
|
Pages |
15-32 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher ![sorted by Publisher field, descending order (down)](img/sort_desc.gif) |
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Place of Publication |
Berlin |
Editor |
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Language |
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Wos |
000089339900004 |
Publication Date |
2003-05-15 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1434-6028; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.461 |
Times cited |
8 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.461; 2000 IF: 2.077 |
Call Number |
UA @ lucian @ c:irua:34338 |
Serial |
888 |
Permanent link to this record |
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Author |
Nikolaev, A.V.; Michel, K.H. |
Title |
Electronic structure and electric quadrupoles of a polymerized chain in solid AC60 |
Type |
A1 Journal article |
Year |
2001 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
Volume |
117 |
Issue |
|
Pages |
739-743 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher ![sorted by Publisher field, descending order (down)](img/sort_desc.gif) |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000167538300010 |
Publication Date |
2002-07-25 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
0038-1098; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.554 |
Times cited |
10 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.554; 2001 IF: 1.381 |
Call Number |
UA @ lucian @ c:irua:36881 |
Serial |
1009 |
Permanent link to this record |
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|
Author |
Michel, K.H. |
Title |
Free energy and orientational phase transition in solid C60 |
Type |
A1 Journal article |
Year |
1992 |
Publication |
Zeitschrift für Physik: B |
Abbreviated Journal |
|
Volume |
88 |
Issue |
|
Pages |
71-78 |
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 ![sorted by Publisher field, descending order (down)](img/sort_desc.gif) |
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Place of Publication |
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Editor |
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Language |
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Wos |
A1992JB10700009 |
Publication Date |
2005-04-28 |
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 |
0722-3277;1434-6036; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
33 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:2967 |
Serial |
1275 |
Permanent link to this record |
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Author |
Theuns, T.; Michel, K.H. |
Title |
Free energy and structural phase transitions in mixed crystals: a microscopic derivation |
Type |
A1 Journal article |
Year |
1992 |
Publication |
Zeitschrift für Physik: B |
Abbreviated Journal |
|
Volume |
86 |
Issue |
|
Pages |
125-131 |
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 ![sorted by Publisher field, descending order (down)](img/sort_desc.gif) |
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Place of Publication |
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Editor |
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Language |
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Wos |
A1992GV45100019 |
Publication Date |
2005-03-26 |
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 |
0722-3277;1434-6036; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
1 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:44748 |
Serial |
1276 |
Permanent link to this record |
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Author |
Verberck, B.; Heresanu, V.; Rouziere, S.; Cambedouzou, J.; Launois, P.; Kovats, E.; Pekker, S.; Vliegenthart, G.A.; Michel, K.H.; Gompper, G. |
Title |
Fullerene-cubane : X-ray scattering experiments and Monte Carlo simulations |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Fullerenes, nanotubes, and carbon nanostructures
T2 – 8th Biennial International Workshop on Fullerenes and Atomic Clusters, (IWFAC 2007), JUL 02-06, 2007, St Petersburg, RUSSIA |
Abbreviated Journal |
Fuller Nanotub Car N |
Volume |
16 |
Issue |
5-6 |
Pages |
293-300 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
We report single-crystal X-ray diffuse scattering measurements on C-60.C8H8 fullerene-cubane showing that the C-60 molecules are orientationally disordered at 300 and 150K and get ordered at low temperatures. Monte Carlo simulations provide further insight in the orientational behavior of both C-60 and C8H8 molecules; low-temperature molecular orientations are predicted. |
Address |
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Corporate Author |
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Thesis |
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Publisher ![sorted by Publisher field, descending order (down)](img/sort_desc.gif) |
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Place of Publication |
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Editor |
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Language |
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Wos |
000259645200003 |
Publication Date |
2008-09-28 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1536-383X;1536-4046; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.35 |
Times cited |
6 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.35; 2008 IF: 0.680 |
Call Number |
UA @ lucian @ c:irua:102640 |
Serial |
1295 |
Permanent link to this record |
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|
|
Author |
Mattauch, S.; Heger, G.; Michel, K.H. |
Title |
High resolution neutron and X-ray diffraction studies as a function of temperature and electric field of the ferroelectric phase transition of RDP |
Type |
A1 Journal article |
Year |
2004 |
Publication |
Crystal research and technology |
Abbreviated Journal |
Cryst Res Technol |
Volume |
39 |
Issue |
12 |
Pages |
1027-1054 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Neutron and high resolution X-ray diffraction investigations on perfect single crystals of RbH2PO4 (RDP), a hydrogen bonded ferroelectric of KDP type are reported. The results of crystal structure analysis from diffraction data, below and above the paraelectric – ferroelectric phase transition, support a disorder – order character Of [PO4H2](-)-groups. The tetragonal symmetry of the paraelectric phase with the double well potential of the hydrogen atoms obtained by diffraction, results simply from a time-space average of orthorhombic symmetry. According to the group – subgroup relation between the tetragonal space group 142d and the orthorhombic Fdd2 a short range order of ferroelectric clusters in the tetragonal phase is observed. With decreasing temperature the ferroelectric clusters increase and the long range interaction between their local polarisation vectors leads to the formation of lamellar ferroelectric domains with alternating polarisation directions at T-C = 147 K. From the high resolution X-ray data it is concluded that below T-C the ferroelastic strain in the (a,b)-plane leads to micro-angle grain boundaries at the domain walls. The tilt angle is enhanced by an applied electric field parallel to the ferroelectric axis. The resulting dislocations at the domain walls persist in the paraelectric phase leading to a memory effect for the arrangement of twin lamellae. With increased electric field the phase transition temperature T-C is decreased. |
Address |
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Corporate Author |
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Thesis |
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Publisher ![sorted by Publisher field, descending order (down)](img/sort_desc.gif) |
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Place of Publication |
Berlin |
Editor |
|
Language |
|
Wos |
000225681100001 |
Publication Date |
2004-11-12 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0232-1300;1521-4079; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1 |
Times cited |
12 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1; 2004 IF: 0.770 |
Call Number |
UA @ lucian @ c:irua:94785 |
Serial |
1459 |
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