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Records |
Links |
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Author |
Michel, K.H.; Çakir, D.; Sevik, C.; Peeters, F.M. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
Piezoelectricity in two-dimensional materials : comparative study between lattice dynamics and ab initio calculations |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
95 |
Issue |
95 |
Pages |
125415 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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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. |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
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Language |
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Wos |
000396013400005 |
Publication Date |
2017-03-11 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN ![sorted by ISSN field, descending order (down)](img/sort_desc.gif) |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
29 |
Open Access |
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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 |
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Call Number |
UA @ lucian @ c:irua:142444 |
Serial |
4603 |
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Permanent link to this record |
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Author |
Michel, K.H.; Scuracchio, P.; Peeters, F.M. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
Sound waves and flexural mode dynamics in two-dimensional crystals |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
96 |
Issue |
9 |
Pages |
094302 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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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. |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000409246200003 |
Publication Date |
2017-09-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN ![sorted by ISSN field, descending order (down)](img/sort_desc.gif) |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
6 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:145630 |
Serial |
4751 |
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Permanent link to this record |
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Author |
Scuracchio, P.; Michel, K.H.; Peeters, F.M. |
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
Phonon hydrodynamics, thermal conductivity, and second sound in two-dimensional crystals |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
99 |
Issue |
14 |
Pages |
144303 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Starting from our previous work in which we obtained a system of coupled integrodifferential equations for acoustic sound waves and phonon density fluctuations in two-dimensional (2D) crystals, we derive here the corresponding hydrodynamic equations, and we study their consequences as a function of temperature and frequency. These phenomena encompass propagation and damping of acoustic sound waves, diffusive heat conduction, second sound, and Poiseuille heat flow, all of which are characterized by specific transport coefficients. We calculate these coefficients by means of correlation functions without using the concept of relaxation time. Numerical calculations are performed as well in order to show the temperature dependence of the transport coefficients and of the thermal conductivity. As a consequence of thermal tension, mechanical and thermal phenomena are coupled. We calculate the dynamic susceptibilities for displacement and temperature fluctuations and study their resonances. Due to the thermomechanical coupling, the thermal resonances such as the Landau-Placzek peak and the second-sound doublet appear in the displacement susceptibility, and conversely the acoustic sound wave doublet appears in the temperature susceptibility, Our analytical results not only apply to graphene, but they are also valid for arbitrary 2D crystals with hexagonal symmetry, such as 2D hexagonal boron nitride, 2H-transition-metal dichalcogenides, and oxides. |
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Corporate Author |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000464717300006 |
Publication Date |
2019-04-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN ![sorted by ISSN field, descending order (down)](img/sort_desc.gif) |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
16 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ admin @ c:irua:159346 |
Serial |
5225 |
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Permanent link to this record |
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Author |
Neek-Amal, M.; Beheshtian, J.; Sadeghi, A.; Michel, K.H.; Peeters, F.M. |
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
Boron nitride mono layer : a strain-tunable nanosensor |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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Volume |
117 |
Issue |
25 |
Pages |
13261-13267 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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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 |
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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 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN ![sorted by ISSN field, descending order (down)](img/sort_desc.gif) |
1932-7447;1932-7455; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.536 |
Times cited |
38 |
Open Access |
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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 |
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Call Number |
UA @ lucian @ c:irua:109829 |
Serial |
249 |
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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. |
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
Fullerene-cubane : X-ray scattering experiments and Monte Carlo simulations |
Type |
A1 Journal article |
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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 |
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Volume |
16 |
Issue |
5-6 |
Pages |
293-300 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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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. |
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Corporate Author |
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Publisher |
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Place of Publication |
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Language |
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Wos |
000259645200003 |
Publication Date |
2008-09-28 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN ![sorted by ISSN field, descending order (down)](img/sort_desc.gif) |
1536-383X;1536-4046; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.35 |
Times cited |
6 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.35; 2008 IF: 0.680 |
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Call Number |
UA @ lucian @ c:irua:102640 |
Serial |
1295 |
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Permanent link to this record |
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Author |
Verberck, B.; Michel, K.H.; Nikolaev, A.V. |
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
The C60 molecules in (C60)N@SWCNT peapods: crystal field, intermolecular interactions and dynamics |
Type |
A1 Journal article |
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Year |
2006 |
Publication |
Fullerenes, nanotubes, and carbon nanostructures |
Abbreviated Journal |
Fuller Nanotub Car N |
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Volume |
14 |
Issue |
2/3 |
Pages |
171-178 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000238762900006 |
Publication Date |
2006-06-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN ![sorted by ISSN field, descending order (down)](img/sort_desc.gif) |
1536-383X;1536-4046; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.35 |
Times cited |
10 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.35; 2006 IF: 0.462 |
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Call Number |
UA @ lucian @ c:irua:60025 |
Serial |
3518 |
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Permanent link to this record |
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Author |
Verberck, B.; Nikolaev, A.V.; Michel, K.H. |
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
Theoretical model for the structural phase transition and the metal-insulator transition in polymerized KC60 |
Type |
A1 Journal article |
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Year |
2004 |
Publication |
Fullerenes, nanotubes, and carbon nanostructures
T2 – 6th Biennial International Workshop on Fullerenes and Atomic Clusters, JUN 30-JUL 04, 2003, St Petersburg, RUSSIA |
Abbreviated Journal |
Fuller Nanotub Car N |
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Volume |
12 |
Issue |
1-2 |
Pages |
243-252 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
The recently discovered structural phase transition in Polymerized KC60 at about 50K leads to a doubling of the unit cell volume and is accompanied by a metal-insulator transition. Here, we show that the ((a) over right arrow + (c) over right arrow, (b) over right arrow, (a) over right arrow – (c) over right arrow) superstructure results from orientational charge density waves along the polymer chains and correlated displacements of the K+ ions. The presented model can also account for the metal-insulator transition. The effect is specific for the space group Pmnn of KC60 and is absent in both Rb- and CsC60 (space group 12/m), in agreement with the present experimental knowledge of these compounds. |
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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 |
000220551600040 |
Publication Date |
2004-03-15 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN ![sorted by ISSN field, descending order (down)](img/sort_desc.gif) |
1536-383X;1536-4046; |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
1.35 |
Times cited |
|
Open Access |
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Notes |
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Approved |
Most recent IF: 1.35; 2004 IF: 1.117 |
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Call Number |
UA @ lucian @ c:irua:103259 |
Serial |
3607 |
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Permanent link to this record |
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Author |
Michel, K.H.; Verberck, B.; Nikolaev, A.V. |
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
Nanotube field and one-dimensional fluctuations of C60 molecules in carbon nanotubes |
Type |
A1 Journal article |
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Year |
2005 |
Publication |
European physical journal : B : condensed matter and complex systems |
Abbreviated Journal |
Eur Phys J B |
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Volume |
48 |
Issue |
1 |
Pages |
113-124 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Berlin |
Editor |
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Language |
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Wos |
000233998600016 |
Publication Date |
2005-12-13 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN ![sorted by ISSN field, descending order (down)](img/sort_desc.gif) |
1434-6028;1434-6036; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.461 |
Times cited |
25 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.461; 2005 IF: 1.720 |
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Call Number |
UA @ lucian @ c:irua:56408 |
Serial |
2279 |
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Permanent link to this record |
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Author |
Nikolaev, A.V.; Michel, K.H. |
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
Electric quadrupole interactions and the γ-α phase transition in Ce: the role of conduction electrons |
Type |
A1 Journal article |
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Year |
2000 |
Publication |
European physical journal : B : condensed matter and complex systems |
Abbreviated Journal |
Eur Phys J B |
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Volume |
17 |
Issue |
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Pages |
15-32 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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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 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN ![sorted by ISSN field, descending order (down)](img/sort_desc.gif) |
1434-6028; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.461 |
Times cited |
8 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.461; 2000 IF: 2.077 |
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Call Number |
UA @ lucian @ c:irua:34338 |
Serial |
888 |
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Permanent link to this record |
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Author |
Nikolaev, A.V.; Michel, K.H. |
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
Quantum charge density fluctuations and the γ-α phase transition in Ce |
Type |
A1 Journal article |
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Year |
1999 |
Publication |
European physical journal : B : condensed matter and complex systems |
Abbreviated Journal |
Eur Phys J B |
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Volume |
9 |
Issue |
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Pages |
619-634 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Berlin |
Editor |
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Language |
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Wos |
000081615500009 |
Publication Date |
2002-08-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN ![sorted by ISSN field, descending order (down)](img/sort_desc.gif) |
1434-6028; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.461 |
Times cited |
19 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.461; 1999 IF: 1.705 |
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Call Number |
UA @ lucian @ c:irua:28504 |
Serial |
2774 |
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Permanent link to this record |
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Author |
Michel, A.; Pierron-Bohnes, V.; Jay, J.P.; Panissod, P.; Lefebvre, S.; Bessière, M.; Fischer, H.E.; Van Tendeloo, G. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
Stabilisation of fcc cobalt layers by 0.4 nm thick manganese layers in Co/Mn superlattices |
Type |
A1 Journal article |
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Year |
2001 |
Publication |
European physical journal : B : condensed matter and complex systems |
Abbreviated Journal |
Eur Phys J B |
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Volume |
19 |
Issue |
2 |
Pages |
225-239 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Berlin |
Editor |
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Language |
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Wos |
000167425800008 |
Publication Date |
2003-05-15 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN ![sorted by ISSN field, descending order (down)](img/sort_desc.gif) |
1434-6028; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.461 |
Times cited |
8 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 1.461; 2001 IF: 1.811 |
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Call Number |
UA @ lucian @ c:irua:54779 |
Serial |
3116 |
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Permanent link to this record |
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Author |
Floros, N.; Hervieu, M.; Van Tendeloo, G.; Michel, C.; Maignan, A.; Raveau, B. |
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
The layered manganate Sr4-xBaxMn3O10: synthesis, structural and magnetic properties |
Type |
A1 Journal article |
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Year |
2000 |
Publication |
Solid state sciences |
Abbreviated Journal |
Solid State Sci |
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Volume |
2 |
Issue |
1 |
Pages |
1-9 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000087149500001 |
Publication Date |
2002-07-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
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|
ISSN ![sorted by ISSN field, descending order (down)](img/sort_desc.gif) |
1293-2558; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.811 |
Times cited |
29 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 1.811; 2000 IF: 0.625 |
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|
Call Number |
UA @ lucian @ c:irua:54695 |
Serial |
1805 |
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Permanent link to this record |
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|
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Author |
Hervieu, M.; Michel, C.; Martin, C.; Huvé, M.; Van Tendeloo, G.; Maignan, A.; Pelloquin, D.; Goutenoire, F.; Raveau, B. |
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Title |
Mécanismes de la non-stoechiométrie dans les nouveaux supraconducteurs à haute Tc |
Type |
A1 Journal article |
|
Year |
1994 |
Publication |
Journal de physique: 3: applied physics, materials science, fluids, plasma and instrumentation |
Abbreviated Journal |
|
|
|
Volume |
4 |
Issue |
|
Pages |
2057-2067 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Les Ulis |
Editor |
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Language |
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Wos |
A1994PT17900002 |
Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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|
|
Series Volume |
|
Series Issue |
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Edition |
|
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ISSN ![sorted by ISSN field, descending order (down)](img/sort_desc.gif) |
1155-4320 |
ISBN |
|
Additional Links |
UA library record; WoS full record; |
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|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ lucian @ c:irua:10041 |
Serial |
1973 |
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Permanent link to this record |
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Author |
Hervieu; Van Tendeloo, G.; Michel; Pelloquin; Raveau |
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
Mixed layers in copper based superconducting materials |
Type |
A1 Journal article |
|
Year |
1996 |
Publication |
Microscopy, microanalysis, microstructures |
Abbreviated Journal |
|
|
|
Volume |
7 |
Issue |
2 |
Pages |
107-141 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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|
Abstract |
Recently discovered series of high Tc superconductors, characterized by the existence of two types of cations within the same layer, are presented. The first family concerns the mercury based cuprates, Hg(1-x)M(x)A(2)Ca(m-1)Cu(m)O(2m+2+delta), with A = Ba and/or Sr, which exhibit structures closely related to that of the thallium cuprates TlBa2Cam-1CumO2m+3. They differ from the thallium cuprates by a high oxygen deficiency at the level of the mercury layer. It is shown that cations such as M = Cu, Pb, Tl, Bi, Ce, Pr, Cr, V, Mo, W, Ti, Sr, Ca,... can partially substitute for mercury ions, stabilizing the structures. The cationic composition of the layer depends indeed on the nature of the M cation but also on that of the alkaline earth A. For given A and M cations, the a: value remains unchanged even when the number of copper layers varies. M and Hg cations are either statistically distributed over the same site or ordered. Different types of ordering have been detected. Another way of generating mixed layers is to shear periodically the structure, leading to the formation of the so called ''collapsed phase''. In the collapsed bismuth cuprates, bismuth and copper segments, a few octahedra long, alternate in strongly waving layers. In the collapsed oxycarbonates, carbonate groups and M cations are ordered within the intermediate layer so that they can be simply described from a partial and ordered substitution of carbon for Hg,TI, Bi and other M cations building the intermediate layer. The oxycarbonitrates (Y1-xCax)(n)Ba2nCu3n-1(C,N)O3O7n-3 can also be described as an ordered substitution of carbon for copper in the 123 matrix. The different families of superconducting materials which are generated by such mechanisms are described as well as the way the different species are distributed within the mixed layers. Their influence on the physical properties are discussed. |
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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 |
Ivry |
Editor |
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Language |
|
Wos |
A1996VA22000004 |
Publication Date |
2003-08-13 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
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ISSN ![sorted by ISSN field, descending order (down)](img/sort_desc.gif) |
1154-2799; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
|
Times cited |
2 |
Open Access |
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|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ lucian @ c:irua:95287 |
Serial |
2088 |
|
Permanent link to this record |
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|
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Author |
Beheshtian, J.; Sadeghi, A.; Neek-Amal, M.; Michel, K.H.; Peeters, F.M. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
|
|
Title |
Induced polarization and electronic properties of carbon-doped boron nitride nanoribbons |
Type |
A1 Journal article |
|
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
86 |
Issue |
19 |
Pages |
195433-195438 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
The electronic properties of boron nitride nanoribbons (BNNRs) doped with a line of carbon atoms are investigated using density functional calculations. By replacing a line of alternating B and N atoms with carbons, three different configurations are possible depending on the type of the atoms which bond to the carbons. We found very different electronic properties for these configurations: (i) the NCB arrangement is strongly polarized with a large dipole moment having an unexpected direction, (ii) the BCB and NCN arrangements are nonpolar with zero dipole moment, (iii) the doping by a carbon line reduces the band gap regardless of the local arrangement of the borons and the nitrogens around the carbon line, and (iv) the polarization and energy gap of the carbon-doped BNNRs can be tuned by an electric field applied parallel to the carbon line. Similar effects were found when either an armchair or zigzag line of carbon was introduced. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
|
Wos |
000311694200006 |
Publication Date |
2012-11-29 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN ![sorted by ISSN field, descending order (down)](img/sort_desc.gif) |
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 |
; We would like to thank J. M. Pereira and S. Goedecker for helpful discussions. This work was supported by the Flemish Science Foundation (FWO-Vl), the ESF-EuroGRAPHENE project CONGRAN. M. N.-A is supported by EU-Marie Curie IIF postdoc Fellowship/299522. ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
|
|
Call Number |
UA @ lucian @ c:irua:105136 |
Serial |
1603 |
|
Permanent link to this record |
|
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|
Author |
Tsvyashchenko, A.V.; Nikolaev, A.V.; Velichkov, A.I.; Salamatin, A.V.; Fomicheva, L.N.; Ryasny, G.K.; Sorokin, A.A.; Kochetov, O.I.; Budzynski, M.; Michel, K.H. |
![find record details (via OpenURL) openurl](img/xref.gif)
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|
Title |
Lowering of the spatial symmetry at the gamma ->alpha phase transition in cerium |
Type |
A1 Journal article |
|
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
82 |
Issue |
9 |
Pages |
1-4 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
Using time-differential perturbed angular correlation spectroscopy we have measured the electric field gradient (EFG) at 111Cd probe nuclei in solid Ce in a pressure range up to 8 GPa. Covering various allotropic phases of Ce, we find that the value of the EFG in the cubic α phase is almost four times larger than in the cubic γ phase and close to values in the noncubic phases α′ and α″. These results together with the differences in time modulation of the spectra are interpreted as evidence for quadrupolar electronic charge-density ordering and symmetry lowering at the γ→α transition while the lattice remains face-centered cubic |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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|
Language |
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Wos |
000282004400001 |
Publication Date |
2010-09-16 |
|
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN ![sorted by ISSN field, descending order (down)](img/sort_desc.gif) |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
11 |
Open Access |
|
|
|
Notes |
; This work is supported by the Program of the Presidium of the Russian Academy of Sciences “Physics of Strongly Compressed Matter.” We are grateful to S. M. Stishov, B. Verberck, A. N. Grum-Grzhimailo, V. B. Brudanin and G. Heger for support of this work and discussion of the results. ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
|
|
Call Number |
UA @ lucian @ c:irua:85464 |
Serial |
1854 |
|
Permanent link to this record |
|
|
|
|
Author |
Verberck, B.; Michel, K.H. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
|
|
Title |
Nanotube field and orientational properties of C70 molecules in carbon nanotubes |
Type |
A1 Journal article |
|
Year |
2007 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
75 |
Issue |
4 |
Pages |
045419,1-14 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
The orientation of a C(70) fullerene molecule encapsulated in a single-walled carbon nanotube (SWCNT) depends on the tube radius. First we confirm that chirality effects do not affect the orientation as well by comparing discrete atomistic calculations with the results of a continuous tube approximation for a variety of SWCNTs. The molecular and the tube symmetry are exploited by using symmetry-adapted rotator functions. We accurately determine the optimal molecular orientation as a function of the tube radius; for low (less than or similar to 7 A) and high (greater than or similar to 7.2 A) tube radii, lying and standing molecular orientations are recovered, respectively. In between, we observe a transition regime. In addition, we consider off-axis positions. We perform a one-dimensional liquid description of a chain of on-axis C(70) molecules inside a SWCNT. All results agree well with recent x-ray diffraction experiments. |
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Address |
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Corporate Author |
|
Thesis |
|
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Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
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Language |
|
Wos |
000243895600128 |
Publication Date |
2007-01-17 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN ![sorted by ISSN field, descending order (down)](img/sort_desc.gif) |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
23 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.836; 2007 IF: 3.172 |
|
|
Call Number |
UA @ lucian @ c:irua:63752 |
Serial |
2280 |
|
Permanent link to this record |
|
|
|
|
Author |
Verberck, B.; Michel, K.H. |
![find record details (via OpenURL) openurl](img/xref.gif)
|
|
Title |
Nanotube field of C60 molecules in carbon nanotubes: atomistic versus continuous approach |
Type |
A1 Journal article |
|
Year |
2006 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
74 |
Issue |
4 |
Pages |
045421,1-14 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
|
|
|
Address |
|
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Corporate Author |
|
Thesis |
|
|
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Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
|
|
Language |
|
Wos |
000239426800113 |
Publication Date |
2006-07-22 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN ![sorted by ISSN field, descending order (down)](img/sort_desc.gif) |
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; 2006 IF: 3.107 |
|
|
Call Number |
UA @ lucian @ c:irua:60090 |
Serial |
2281 |
|
Permanent link to this record |
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|
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Author |
Verberck, B.; Nikolaev, A.V.; Michel, K.H. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
|
|
Title |
Orientational charge density waves and the metal-insulator transition in polymerized KC60 |
Type |
A1 Journal article |
|
Year |
2005 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
71 |
Issue |
16 |
Pages |
165117-11 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
A theoretical model is presented for the description of the metal-insulator transition which accompanies the structural phase transition at T approximate to 50 K in polymerized KC60. The model involves orientational charge density waves (along the C-60 polymer chains) which were introduced previously for a description of the structural phase transition. A satisfactory qualitative and quantitative understanding is obtained when the three-dimensionality of the crystal and the presence of the K+ counterions is properly taken into account. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000228763100035 |
Publication Date |
2005-04-27 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN ![sorted by ISSN field, descending order (down)](img/sort_desc.gif) |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
1 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.836; 2005 IF: 3.185 |
|
|
Call Number |
UA @ lucian @ c:irua:104076 |
Serial |
2514 |
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Permanent link to this record |
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|
|
Author |
Michel, K.H.; Verberck, B. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
|
|
Title |
Phonon dispersions and piezoelectricity in bulk and multilayers of hexagonal boron nitride |
Type |
A1 Journal article |
|
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
83 |
Issue |
11 |
Pages |
115328-115328,14 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
A unified theory of phonon dispersions and piezoelectricity in bulk and multilayers of hexagonal boron nitride (h-BN) is derived. The dynamical matrix is calculated on the basis of an empirical force constant model of intralayer valence and interlayer van der Waals interactions. Coulomb interactions are calculated by Ewalds method, adapted for the three-dimensional (3D) and the multilayer case. The deformation of the ionic charge distribution with long-wave lattice displacements is taken into account. Special attention is devoted to the nonanalytic long-range Coulomb contribution to the dynamical matrix which is different for the 3D crystal and the multilayer case. Consequently there is a splitting of the transverse optical (TO) and longitudinal optical (LO) phonon branches of E1u symmetry and a discontinuity of the A2u branch at the Γ point in 3D h-BN. No such splitting and discontinuity at Γ are present in multilayer crystals with a finite number N of layers. There a diverging bundle of N overbending optical phonon branches emerges from Γ. Borns long-wave theory is applied and extended for the study of piezoelectricity in layered crystals. While 3D h-BN and h-BN multilayers with an even number of layers (symmetry D6h) are not piezoelectric, multilayers with an uneven number of Nu layers (symmetry D3h) are piezoelectric; the piezoelectric coefficient e1,11 is inversely proportional to Nu. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
|
Wos |
000288783700005 |
Publication Date |
2011-03-24 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
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ISSN ![sorted by ISSN field, descending order (down)](img/sort_desc.gif) |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
82 |
Open Access |
|
|
|
Notes |
; Discussions with G. Heger, B. Partoens, and F. M. Peeters are gratefully acknowledged. This work has been supported by the Flemish Science Foundation (FWO-V1) and the Bijzonder Onderzoeksfonds, Universiteit Antwerpen (BOF-UA). ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
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|
Call Number |
UA @ lucian @ c:irua:89602 |
Serial |
2603 |
|
Permanent link to this record |
|
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|
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Author |
Michel, K.H.; Verberck, B. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
|
|
Title |
Theory of elastic and piezoelectric effects in two-dimensional hexagonal boron nitride |
Type |
A1 Journal article |
|
Year |
2009 |
Publication |
Physical review : B : solid state |
Abbreviated Journal |
Phys Rev B |
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Volume |
80 |
Issue |
22 |
Pages |
224301,1-224301,10 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
Starting from an empirical force constant model of valence interactions and calculating by Ewalds method the ion-ion force constants, we derive the dynamical matrix for a monolayer crystal of hexagonal boron nitride (h-BN). The phonon dispersion relations are calculated. The interplay between valence and Coulomb forces is discussed. It is shown by analytical methods that the longitudinal and the transverse optical (LO and TO) phonon branches for in-plane motion are degenerate at the Γ point of the Brillouin zone. Away from Γ, the LO branch exhibits pronounced overbending. It is found that the nonanalytic Coulomb contribution to the dynamical matrix causes a linear increase of the LO branch with increasing wave vector starting at Γ. This effect is general for two-dimensional (2D) ionic crystals. Performing a long-wavelength expansion of the dynamical matrix, we use Borns perturbation method to calculate the elastic constants (tension coefficients). Since the crystal is noncentrosymmetric, internal displacements due to relative shifts between the two sublattices (B and N) contribute to the elastic constants. These internal displacements are responsible for piezoelectric and dielectric phenomena. The piezoelectric stress constant and the dielectric susceptibility of 2D h-BN are calculated. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
|
Wos |
000273228500045 |
Publication Date |
2009-12-21 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
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ISSN ![sorted by ISSN field, descending order (down)](img/sort_desc.gif) |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
96 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.836; 2009 IF: 3.475 |
|
|
Call Number |
UA @ lucian @ c:irua:80576 |
Serial |
3616 |
|
Permanent link to this record |
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Author |
Michel, K.H.; Verberck, B. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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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. |
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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 |
|
Editor |
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Language |
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Wos |
000301646000006 |
Publication Date |
2012-03-19 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
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ISSN ![sorted by ISSN field, descending order (down)](img/sort_desc.gif) |
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 |
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|
Call Number |
UA @ lucian @ c:irua:97787 |
Serial |
3619 |
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Permanent link to this record |
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Author |
Michel, K.H.; Verberck, B. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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|
Title |
Theory of the evolution of phonon spectra and elastic constants from graphene to graphite |
Type |
A1 Journal article |
|
Year |
2008 |
Publication |
Physical review : B : solid state |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
78 |
Issue |
8 |
Pages |
085424,1-085424,17 |
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|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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|
Abstract |
We present a unified theory of the phonon dispersions and elastic properties of graphene, graphite, and graphene multilayer systems. Starting from a fifth-nearest-neighbor force-constant model derived from full in-plane phonon dispersions of graphite [Mohr et al., Phys. Rev. B 76, 035439 (2007)], we use Born's long-wave method to calculate the tension and bending coefficients of graphene. Extending the model by interplanar interactions, we study the phonon dispersions and the elastic constants of graphite, and the phonon spectra of graphene multilayers. We find that the inner displacement terms due to sublattice shifts between inequivalent C atoms are quantitatively important in determining the elastomechanical properties of graphene and of graphite. The overall agreement between theory and experiment is very satisfactory. We investigate the evolution from graphene to graphite by studying the increase in the rigid plane optical mode as a function of the number of layers N. At N=10 the graphite value B2g1127 cm−1 is attained within a few percent. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000259406900106 |
Publication Date |
2008-08-21 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
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ISSN ![sorted by ISSN field, descending order (down)](img/sort_desc.gif) |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
3.836 |
Times cited |
72 |
Open Access |
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|
Notes |
|
Approved |
Most recent IF: 3.836; 2008 IF: 3.322 |
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|
Call Number |
UA @ lucian @ c:irua:76527 |
Serial |
3622 |
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Permanent link to this record |
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Author |
Michel, K.H.; Costamagna; Peeters, F.M. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
Theory of anharmonic phonons in two-dimensional crystals |
Type |
A1 Journal article |
|
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
91 |
Issue |
91 |
Pages |
134302 |
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|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Anharmonic effects in an atomic monolayer thin crystal with honeycomb lattice structure are investigated by analytical and numerical lattice dynamical methods. Starting from a semiempirical model for anharmonic couplings of third and fourth orders, we study the in-plane and out-of-plane (flexural) mode components of the generalized wave vector dependent Gruneisen parameters, the thermal tension and the thermal expansion coefficients as a function of temperature and crystal size. From the resonances of the displacement-displacement correlation functions, we obtain the renormalization and decay rate of in-plane and flexural phonons as a function of temperature, wave vector, and crystal size in the classical and in the quantum regime. Quantitative results are presented for graphene. There, we find that the transition temperature T-alpha from negative to positive thermal expansion is lowered with smaller system size. Renormalization of the flexural mode has the opposite effect and leads to values of T-alpha approximate to 300 K for systems of macroscopic size. Extensive numerical analysis throughout the Brillouin zone explores various decay and scattering channels. The relative importance of normal and umklapp processes is investigated. The work is complementary to crystalline membrane theory and computational studies of anharmonic effects in two-dimensional crystals. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000353031000001 |
Publication Date |
2015-04-17 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN ![sorted by ISSN field, descending order (down)](img/sort_desc.gif) |
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 |
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|
Notes |
; We thank B. Verberck, D. Lamoen, and A. Dobry for useful comments. We acknowledge funding from the FWO (Belgium)-MINCyT (Argentina) collaborative research project. This work is supported by the EuroGRAPHENE project CONGRAN. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
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|
Call Number |
UA @ lucian @ c:irua:132512 |
Serial |
4263 |
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Permanent link to this record |
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Author |
Bostoen, C.; Michel, K.H. |
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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 |
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Volume |
43 |
Issue |
|
Pages |
4415-4422 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
A1991EX92100073 |
Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
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ISSN ![sorted by ISSN field, descending order (down)](img/sort_desc.gif) |
1098-0121; 0163-1829 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
3.736 |
Times cited |
33 |
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ lucian @ c:irua:939 |
Serial |
773 |
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Permanent link to this record |
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Author |
Nikolaev, A.V.; Michel, K.H. |
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
Elusive s-f intrasite interactions and double exchange in solids: ferromagnetic versus nonmagnetic ground state |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Journal of experimental and theoretical physics |
Abbreviated Journal |
J Exp Theor Phys+ |
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Volume |
109 |
Issue |
2 |
Pages |
286-292 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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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. |
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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 |
Woodbury, N.Y. |
Editor |
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Language |
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Wos |
000270506500014 |
Publication Date |
2009-09-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN ![sorted by ISSN field, descending order (down)](img/sort_desc.gif) |
1063-7761;1090-6509; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.196 |
Times cited |
3 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.196; 2009 IF: 0.871 |
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Call Number |
UA @ lucian @ c:irua:79163 |
Serial |
1027 |
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Permanent link to this record |
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Author |
Van Tendeloo, G.; Krekels, T.; Amelinckx, S.; Babu, T.G.N.; Greaves, C.; Hervieu, M.; Michel, C.; Raveau, B. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
Structural investigations of recently discovered high Tc superconductors |
Type |
A1 Journal article |
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Year |
1995 |
Publication |
Microscopy research and technique |
Abbreviated Journal |
Microsc Res Techniq |
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Volume |
30 |
Issue |
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Pages |
102-122 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
A1995QH52800002 |
Publication Date |
2005-02-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN ![sorted by ISSN field, descending order (down)](img/sort_desc.gif) |
1059-910X;1097-0029; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
1.154 |
Times cited |
4 |
Open Access |
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Notes |
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Approved |
MATERIALS SCIENCE, MULTIDISCIPLINARY 135/271 Q2 # PHYSICS, APPLIED 70/145 Q2 # PHYSICS, CONDENSED MATTER 40/67 Q3 # |
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Call Number |
UA @ lucian @ c:irua:13307 |
Serial |
3241 |
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Permanent link to this record |
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Author |
Bussmann-Holder, A.; Michel, K.H. |
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Title |
Proton tunneling and nonlinear polarizability effects in hydrogen-bonded ferroelectrics |
Type |
P1 Proceeding |
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Year |
1998 |
Publication |
AIP conference proceedings
T2 – 5th Williamsburg Workshop on 1st-Principles Calculations for, Ferroelectrics, FEB 01-04, 1998, WILLIAMSBURG, VA |
Abbreviated Journal |
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Volume |
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Issue |
|
Pages |
202-206 |
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Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
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Abstract |
Hydrogen-bonded ferroelectrics are modelled by a coupled spin/nonlinear lattice (polarizability) interaction Hamiltonian, where specifically the geometry of the hydrogen bond is included. The model leads to a structural phase transition and describes correctly the isotope effect due to the substitution H/D in hydrogen-bonded systems in terms of bond length changes. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York |
Editor |
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Language |
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Wos |
000075034000022 |
Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
436 |
Edition |
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ISSN ![sorted by ISSN field, descending order (down)](img/sort_desc.gif) |
1-56396-730-8 |
ISBN |
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Additional Links |
UA library record; WoS full record; |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:104344 |
Serial |
2733 |
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Permanent link to this record |
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Author |
Hadermann, J.; Pérez, O.; Créon, N.; Michel, C.; Hervieu, M. |
![find record details (via OpenURL) openurl](img/xref.gif)
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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 |
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Volume |
17 |
Issue |
22 |
Pages |
2344-2350 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
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Language |
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Wos |
000247349400020 |
Publication Date |
2007-04-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN ![sorted by ISSN field, descending order (down)](img/sort_desc.gif) |
0959-9428;1364-5501; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
7 |
Open Access |
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|
Notes |
Supergmr:Hprn-Ct-2000-0021 |
Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:64749 c:irua:64749 |
Serial |
13 |
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Permanent link to this record |
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Author |
Copley, J.R.D.; Michel, K.H. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
Neutron and X-ray-scattering cross sections of orientationally disordered solid C60 |
Type |
A1 Journal article |
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Year |
1993 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
5 |
Issue |
26 |
Pages |
4353-4370 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Differential cross sections for neutron and x-ray scattering have been derived for the orientationally disordered phase of solid C60. Interaction centres are placed at nuclei and at the centres of interatomic bonds. Bragg and diffuse scattering cross sections, for single crystals and for powders, are formulated using symmetry-adapted rotator functions. Thermal averages are calculated taking account of crystal field effects. Thermally averaged orientational distribution functions have also been calculated. |
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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 |
A1993LK74100008 |
Publication Date |
2002-08-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
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ISSN ![sorted by ISSN field, descending order (down)](img/sort_desc.gif) |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.346 |
Times cited |
34 |
Open Access |
|
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Notes |
|
Approved |
MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 # |
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Call Number |
UA @ lucian @ c:irua:102972 |
Serial |
2298 |
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Permanent link to this record |