| Records |
| 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 |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
A1994NW97900058 |
Publication Date |
2002-07-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
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 |
| |
|
| |
| 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. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Berlin |
Editor |
|
| Language |
|
Wos |
A1993MC88000005 |
Publication Date |
2005-03-25 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| 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 |
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 |
| |
|
| |
| 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 |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
Narosa |
Place of Publication |
New Delhi |
Editor |
|
| Language |
|
Wos |
|
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
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 |
| |
|
| |
| 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 |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
New York |
Editor |
|
| Language |
|
Wos |
000079806300017 |
Publication Date |
2007-07-08 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| 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 |
| |
|
| |
| 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 |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
A1994QA39000011 |
Publication Date |
2002-10-17 |
| 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 |
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 |
| |
|
| |
| 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 |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
A1994NH48800002 |
Publication Date |
2004-12-02 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| 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 |
| |
|
| |
| 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 |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000072588400025 |
Publication Date |
2002-07-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| 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 |
| |
|
| |
| 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. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| Language |
|
Wos |
000321236400041 |
Publication Date |
2013-06-03 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| 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 |
| |
|
| |
| 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 |
|
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 |
| |
|
| |
| 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 |
|
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 |
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 |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
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 |
| |
|
| |
| 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 |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
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 |
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 |
|
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 |
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 |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
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 |
