Records |
Author |
Beheshtian, J.; Sadeghi, A.; Neek-Amal, M.; Michel, K.H.; Peeters, F.M. |
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. |
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 |
000311694200006 |
Publication Date |
2012-11-29 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
41 |
Open Access |
|
Notes |
; 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 |
Floros, N.; Hervieu, M.; Van Tendeloo, G.; Michel, C.; Maignan, A.; Raveau, B. |
Title |
The layered manganate Sr4-xBaxMn3O10: synthesis, structural and magnetic properties |
Type |
A1 Journal article |
Year |
2000 |
Publication |
Solid state sciences |
Abbreviated Journal |
Solid State Sci |
Volume |
2 |
Issue |
1 |
Pages |
1-9 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
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Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000087149500001 |
Publication Date |
2002-07-25 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
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 |
Call Number |
UA @ lucian @ c:irua:54695 |
Serial |
1805 |
Permanent link to this record |
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|
|
Author |
Martin, C.; Hervieu, M.; Huvé, M.; Michel, C.; Maignan, A.; Van Tendeloo, G.; Raveau, B. |
Title |
Lead-mercury based superconductors: the 1212 cuprate Pb0.7Hg0.3Sr2+xCa0.7Nd0.3-xCu2O7-\delta and the new oxycarbonate Pb0.7Hg0.3Sr4Cu2CO3O7 |
Type |
A1 Journal article |
Year |
1994 |
Publication |
Physica C-Superconductivity And Its Applications |
Abbreviated Journal |
Physica C |
Volume |
222 |
Issue |
|
Pages |
19-26 |
Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
A1994NB49400004 |
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 |
49 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:10027 |
Serial |
1812 |
Permanent link to this record |
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|
|
Author |
Martin, C.; Hervieu, M.; Huvé, M.; Michel, C.; Maignan, A.; Van Tendeloo, G.; Raveau, B. |
Title |
Lead-mercury-based superconductors – the 1212-cuprate Pb0.7Hg0.3Sr2+xCa0.7Nd0.3-xCu2O7-\delta and the new oxycarbonate Pb0.7Hg0.3Sr4Cu2CO3O7 |
Type |
A1 Journal article |
Year |
1994 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
Volume |
222 |
Issue |
1-2 |
Pages |
19-26 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
A new superconducting mercury oxycarbonate, Pb0.7Hg0.3Sr4Cu2CO3O7, has been synthesized. This tetragonal phase (a = 3.824 angstrom, c= 16.468 angstrom) consists of an intergrowth of two nonsuperconducting compounds, Sr2CuO2CO3 and Pb0.7Hg0.3Sr2CuO5. It exhibits after optimization a critical temperature of 70 K, with a sharp transition and a superconducting volume fraction of 50%. Its behavior can be compared to that of thallium oxycarbonates previously isolated. This study is completed by a reinvestigation of the 1212 cuprate of the system Hg-Pb-Sr-Ca-Nd-Cu. A superconducting phase with the 1212 structure, similar to that previously obtained but with a significantly different composition, Pb0.7Hg0.3Sr2+xCa0.7Nd0.3-xCu2O7, has been obtained, with a T(c onset) of 100 K. The behavior of the latter is compared with other lead-based 1212 cuprates. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
A1994NB49400004 |
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 |
49 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:104517 |
Serial |
1813 |
Permanent link to this record |
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|
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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. |
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 |
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 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
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 |
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|
|
Author |
Nikolaev, A.V.; Michel, K.H. |
Title |
Many electron- and hole terms of molecular ions C60n\pm |
Type |
A1 Journal article |
Year |
2003 |
Publication |
Coupling In Chemistry And Physics |
Abbreviated Journal |
Adv Quantum Chem |
Volume |
44 |
Issue |
|
Pages |
305-312 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000188940800019 |
Publication Date |
2004-05-19 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
0065-3276; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.196 |
Times cited |
1 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.196; 2003 IF: 0.375 |
Call Number |
UA @ lucian @ c:irua:104131 |
Serial |
1942 |
Permanent link to this record |
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|
|
Author |
Hervieu, M.; Michel, C.; Martin, C.; Huvé, M.; Van Tendeloo, G.; Maignan, A.; Pelloquin, D.; Goutenoire, F.; Raveau, B. |
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 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Les Ulis |
Editor |
|
Language |
|
Wos |
A1994PT17900002 |
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1155-4320 |
ISBN |
|
Additional Links |
UA library record; WoS full record; |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:10041 |
Serial |
1973 |
Permanent link to this record |
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|
|
Author |
Huvé, M.; Martin, C.; Van Tendeloo, G.; Maignan, A.; Michel, C.; Hervieu, M.; Raveau, B. |
Title |
A mercury-based “1201-0201” intergrowth HgBa2La2Cu2O8+x: a 53K superconductor |
Type |
A1 Journal article |
Year |
1994 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
Volume |
90 |
Issue |
|
Pages |
37-40 |
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 |
A1994ND06400008 |
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0038-1098 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.897 |
Times cited |
7 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:10032 |
Serial |
1994 |
Permanent link to this record |
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|
|
Author |
Martin, C.; Hervieu, M.; Van Tendeloo, G.; Goutenoire, F.; Michel, C.; Maignan, A.; Raveau, B. |
Title |
A mercury based cuprate with the “2212” structure: Hg2-x(Cu,Pr)xBa2PrCu2O8-\delta |
Type |
A1 Journal article |
Year |
1995 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
Volume |
93 |
Issue |
1 |
Pages |
53-56 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
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Wos |
A1995PW08800013 |
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0038-1098 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.897 |
Times cited |
6 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:13761 |
Serial |
1995 |
Permanent link to this record |
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|
|
Author |
Martin, C.; Huvé, M.; Van Tendeloo, G.; Maignan, A.; Michel, C.; Hervieu, M.; Raveau, B. |
Title |
A mercury based superconducting cuprate, intergrowth of the 2201 and 1201 structures Tl2HgBa4Cu2O10+y |
Type |
A1 Journal article |
Year |
1993 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
Volume |
212 |
Issue |
|
Pages |
274-278 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
A1993LN08500004 |
Publication Date |
0000-00-00 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0921-4534 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
0.942 |
Times cited |
21 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:7500 |
Serial |
1996 |
Permanent link to this record |
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|
|
Author |
Zieliński, P.; Michel, K.H. |
Title |
Microscopic model of surfaces in orientationally disordered ionic crystals : the (001) surface of KCN |
Type |
A1 Journal article |
Year |
1992 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
46 |
Issue |
8 |
Pages |
4806-4815 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The crystallographic structure and the distribution of orientations of molecular ions are studied near the surface in an orientationally disordered crystal with the use of a Green-function formalism. The orientational degrees of freedom are treated by means of symmetry-adapted functions of angular coordinates. The structure of the (001) surface of KCN in its cubic fcc phase is then predicted using the existing data on the interaction of the ions K+ and CN-. A local antiferroelectric and antiferroelastic order i shown to exist in the surface region. The magnitude of the order and the spatial extent of the ordered re ion increase as the temperature approaches the point of the phase transition to the ordered phase. The,influence of the external electric field on the structure of the surface is predicted. |
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 |
A1992JK72500049 |
Publication Date |
2002-07-27 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.736 |
Times cited |
4 |
Open Access |
|
Notes |
|
Approved |
PHYSICS, CONDENSED MATTER 16/67 Q1 # |
Call Number |
UA @ lucian @ c:irua:2974 |
Serial |
2029 |
Permanent link to this record |
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|
|
Author |
Callebaut, A.K.; Michel, K.H. |
Title |
Microscopic theory of orientational disorder and lattice instability in solid C70 |
Type |
A1 Journal article |
Year |
1995 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
52 |
Issue |
21 |
Pages |
15279-15290 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We have developed a microscopic theory which describes the orientational dynamics of C-70 molecules and its coupling to lattice displacements in the face-centered-cubic phase of C-70 fullerite. The single-molecule orientational density distribution in the disordered phase is calculated. The ferroelastic transition to the rhombohedral phase is investigated. The discontinuity of the orientational order parameter at the phase transition is calculated. It is found that the transition leads to a stretching of the primitive unit cell along a [111] cubic direction. A softening of the elastic constant c(44) at the transition is predicted. |
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 |
A1995TK97900042 |
Publication Date |
2002-07-27 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.736 |
Times cited |
20 |
Open Access |
|
Notes |
|
Approved |
PHYSICS, APPLIED 28/145 Q1 # |
Call Number |
UA @ lucian @ c:irua:104421 |
Serial |
2031 |
Permanent link to this record |
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|
|
Author |
Michel, K.H.; Copley, J.R.D.; Neumann, D.A. |
Title |
Microscopic theory of orientational disorder and the orientational phase transition in solid C60 |
Type |
A1 Journal article |
Year |
1992 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
Volume |
68 |
Issue |
19 |
Pages |
2929-2932 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We have developed a microscopic theory which describes the orientational dynamics of C60 molecules in the face-centered-cubic phase of C60 fullerite. The molecular interaction potential and the crystal-field potential are formulated in terms of symmetry-adapted rotator functions. The phase transition to the Pa3BAR structure is driven by an active multipolar mode of T2g symmetry belonging to the l = 10 manifold. The Birman criterion is satisfied. The transition is found to be of first order. |
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 |
A1992HT64800019 |
Publication Date |
2002-07-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0031-9007; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
7.512 |
Times cited |
94 |
Open Access |
|
Notes |
|
Approved |
|
Call Number |
UA @ lucian @ c:irua:95492 |
Serial |
2032 |
Permanent link to this record |
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|
|
Author |
Nikolaev, A.V.; Michel, K.H. |
Title |
Microscopic theory of quadrupolar oredring in TmTe |
Type |
A1 Journal article |
Year |
2001 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
63 |
Issue |
|
Pages |
1-10 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000167402100025 |
Publication Date |
2002-07-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
7 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2001 IF: NA |
Call Number |
UA @ lucian @ c:irua:36882 |
Serial |
2033 |
Permanent link to this record |
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|
|
Author |
Nikolaev, A.V.; Michel, K.H. |
Title |
Microscopic theory of the rhombohedral phase and transition to the monoclinic phase of solid C70 |
Type |
A1 Journal article |
Year |
1996 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
54 |
Issue |
18 |
Pages |
12733-12743 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Starting from a model of microscopic interactions between C-70 molecules, we have developed a theory which describes the orientational dynamics and its coupling to lattice displacements in the rhombohedral phase of C-70 fullerite. The Landau free energy is calculated. We obtain a first-order phase transition to a monoclinic structure with the space group P2(1)/m. The transition is driven by the condensation of orientational quadrupoles at the F point of the Brillouin zone of the rhombohedral lattice. We find no evidence that the monoclinic structure is connected with the freezing in of orientations around the fivefold molecular axis. We calculate the lattice strains that are associated with the transition to the monoclinic structure. The theory is compared with a range of experimental data on the phase transition. |
Address |
|
Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
A1996VT68200028 |
Publication Date |
2002-07-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.736 |
Times cited |
5 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:16357 |
Serial |
2034 |
Permanent link to this record |
|
|
|
Author |
Lamoen, D.; Michel, K.H. |
Title |
Microscopic theory of thermoelastic phenomena and pressure dependence in solid C60 |
Type |
A1 Journal article |
Year |
1993 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
48 |
Issue |
2 |
Pages |
807-813 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
A microscopic theory for the coupling of molecular orientations with acoustic lattice displacements is proposed. The relevant interaction is quadratic in the orientational-order-parameter variables and linear in longitudinal strains. The coupling is evaluated for a complex molecular structure. The intermolecular potential is obtained from interaction centers placed at nuclei and at the centers of interatomic bonds. The free energy is derived and the experimental consequences of the theory are studied. The Clausius-Clapeyron equation for orientational melting is obtained. The theory explains the decrease of the lattice constant at the first-order phase transition and the increase of the transition temperature with applied pressure. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
A1993LM88500014 |
Publication Date |
2002-07-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.736 |
Times cited |
32 |
Open Access |
|
Notes |
|
Approved |
PHYSICS, CONDENSED MATTER 16/67 Q1 # |
Call Number |
UA @ lucian @ c:irua:5779 |
Serial |
2035 |
Permanent link to this record |
|
|
|
Author |
Hervieu; Van Tendeloo, G.; Michel; Pelloquin; Raveau |
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) |
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. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Ivry |
Editor |
|
Language |
|
Wos |
A1996VA22000004 |
Publication Date |
2003-08-13 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1154-2799; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
2 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:95287 |
Serial |
2088 |
Permanent link to this record |
|
|
|
Author |
Michel, K.H. |
Title |
Molecular structure and orientational ordering in solid C60 |
Type |
A1 Journal article |
Year |
1992 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
Volume |
97 |
Issue |
7 |
Pages |
5155-5162 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
A microscopic theory, which describes the orientational dynamics of C60 molecules in the face-centered cubic phase of C60-fullerite, is formulated or the case of a complex molecular structure. Interaction centers which comprise atoms, double bonds, and single bonds as molecular constituents contribute to the intermolecular potential. Orientation dependent physical properties are described in terms of symmetry-adapted rotator functions. It is found that a same set of rotator functions is sufficient even in the case of a complex molecular structure. Phase transition temperatures are discussed for various models of molecular structure. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
A1992JR33800062 |
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 |
20 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:2973 |
Serial |
2185 |
Permanent link to this record |
|
|
|
Author |
Lamoen, D.; Michel, K.H. |
Title |
Molecular structure, crystal field and orientational order in solid C60 |
Type |
H1 Book chapter |
Year |
1994 |
Publication |
|
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
183-202 |
Keywords |
H1 Book chapter; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
s.l. |
Editor |
|
Language |
|
Wos |
A1994BE86T00011 |
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
|
ISBN |
0-7923-3109-5 |
Additional Links |
UA library record; WoS full record; |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
|
Call Number |
UA @ lucian @ c:irua:9355 |
Serial |
2186 |
Permanent link to this record |
|
|
|
Author |
Nikolaev, A.V.; Michel, K.H. |
Title |
Molecular terms and optical transitions of C60n+/- molecular ions |
Type |
P1 Proceeding |
Year |
2002 |
Publication |
AIP conference proceedings
T2 – 16th International Winterschool on Electronic Properties of Novel, Materials, MAR 02-09, 2002, KIRCHBERG, AUSTRIA |
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
417-420 |
Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
Abstract |
We have studied the molecular energy terms of the hole configurations (h(u)(+))(m), m=2,3,4,5 of C-60(m+) cations and the electronic configurations (t(1u))(n) n=2,3,4, as well as (t(1u))(n-1)t(1g) of the C-60(n-) anions. The lowest terms (within an energy span of 0.03 eV) for C-60(2+) are three triplets T-3(1g), (3)G(g), T-3(2g) and for C-60(3+) are three quartets T-4(1u), (4)G(u), T-4(2u), which favor Jahn-Teller distortions. For the ground state of C-60(2-) we find a triplet T-3(1g) in agreement with Hund's rules. Our method takes into account intramolecular direct and exchange multipolar Coulomb interactions. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
New York |
Editor |
|
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
633 |
Series Issue |
|
Edition |
|
ISSN |
0-7354-0088-1 |
ISBN |
|
Additional Links |
UA library record; WoS full record; |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:103905 |
Serial |
2187 |
Permanent link to this record |
|
|
|
Author |
Copley, J.R.D.; Michel, K.H. |
Title |
Multiple orientational order parameters in solid C60 |
Type |
A1 Journal article |
Year |
1997 |
Publication |
Physica: B : condensed matter
T2 – International Conference on Neutron Scattering, AUG 17-21, 1997, TORONTO, CANADA |
Abbreviated Journal |
Physica B |
Volume |
241 |
Issue |
|
Pages |
454-455 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The transition Fm (3) over bar m -->Pa (3) over bar in solid C-60 is driven by the condensation of orientational modes belonging to X-5(+) irreducible representations (irreps) of Fm (3) over bar m. Taking into account irreps up to the manifold l = 12, we have studied the primary and secondary orientational order parameters loops). We have numerically solved the coupled molecular field equations for these oops and calculated the temperature dependence of Bragg reflection intensities. (C) 1998 Elsevier Science B.V. All rights reserved. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000074062600130 |
Publication Date |
2002-07-25 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0921-4526; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
1.386 |
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.386; 1997 IF: 0.991 |
Call Number |
UA @ lucian @ c:irua:104360 |
Serial |
2228 |
Permanent link to this record |
|
|
|
Author |
Michel, K.H.; Verberck, B.; Nikolaev, A.V. |
Title |
Nanotube field and one-dimensional fluctuations of C60 molecules in carbon nanotubes |
Type |
A1 Journal article |
Year |
2005 |
Publication |
European physical journal : B : condensed matter and complex systems |
Abbreviated Journal |
Eur Phys J B |
Volume |
48 |
Issue |
1 |
Pages |
113-124 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Berlin |
Editor |
|
Language |
|
Wos |
000233998600016 |
Publication Date |
2005-12-13 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1434-6028;1434-6036; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.461 |
Times cited |
25 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.461; 2005 IF: 1.720 |
Call Number |
UA @ lucian @ c:irua:56408 |
Serial |
2279 |
Permanent link to this record |
|
|
|
Author |
Verberck, B.; Michel, K.H. |
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. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000243895600128 |
Publication Date |
2007-01-17 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
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. |
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) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000239426800113 |
Publication Date |
2006-07-22 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
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 |
|
|
|
Author |
Verberck, B.; Michel, K.H. |
Title |
Nanotube field of C60 and C70 molecules in carbon nanotubes |
Type |
A1 Journal article |
Year |
2007 |
Publication |
International journal of quantum chemistry |
Abbreviated Journal |
Int J Quantum Chem |
Volume |
107 |
Issue |
13 |
Pages |
2294-2319 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000249459800002 |
Publication Date |
2007-02-20 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0020-7608;1097-461X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.92 |
Times cited |
6 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.92; 2007 IF: 1.368 |
Call Number |
UA @ lucian @ c:irua:65785 |
Serial |
2282 |
Permanent link to this record |
|
|
|
Author |
Copley, J.R.D.; Michel, K.H. |
Title |
Neutron and X-ray scattering cross sections of orientationally disordered solid C60 |
Type |
A1 Journal article |
Year |
1993 |
Publication |
Journal Of Physics-Condensed Matter |
Abbreviated Journal |
J Phys-Condens Mat |
Volume |
5 |
Issue |
|
Pages |
4353-4370 |
Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
A1993LK74100008 |
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.346 |
Times cited |
34 |
Open Access |
|
Notes |
|
Approved |
MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 # |
Call Number |
UA @ lucian @ c:irua:5778 |
Serial |
2297 |
Permanent link to this record |
|
|
|
Author |
Copley, J.R.D.; Michel, K.H. |
Title |
Neutron and X-ray-scattering cross sections of orientationally disordered solid C60 |
Type |
A1 Journal article |
Year |
1993 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
Volume |
5 |
Issue |
26 |
Pages |
4353-4370 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
A1993LK74100008 |
Publication Date |
2002-08-25 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
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 |
|
Notes |
|
Approved |
MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 # |
Call Number |
UA @ lucian @ c:irua:102972 |
Serial |
2298 |
Permanent link to this record |
|
|
|
Author |
Pelloquin, D.; Michel, C.; Van Tendeloo, G.; Maignan, A.; Hervieu, M.; Raveau, B. |
Title |
A new “1201” mercury cuprate: the 27K-superconductor HG0.5Bi0.5Sr2-xLaxCuO5-\delta |
Type |
A1 Journal article |
Year |
1993 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
Volume |
214 |
Issue |
|
Pages |
87-92 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
A1993LW02700011 |
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 |
CHEMISTRY, PHYSICAL 77/144 Q3 # MATHEMATICS, INTERDISCIPLINARY 19/101 Q1 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 17/35 Q2 # |
Call Number |
UA @ lucian @ c:irua:6849 |
Serial |
2301 |
Permanent link to this record |
|
|
|
Author |
Maignan, A.; Van Tendeloo, G.; Hervieu, M.; Michel, C.; Raveau, B. |
Title |
A new “1212” mercury-based 90K superconductor: (Hg1-xMx)O6+y |
Type |
A1 Journal article |
Year |
1993 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
Volume |
212 |
Issue |
|
Pages |
239-244 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
A1993LL33900033 |
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 |
36 |
Open Access |
|
Notes |
|
Approved |
CHEMISTRY, PHYSICAL 77/144 Q3 # MATHEMATICS, INTERDISCIPLINARY 19/101 Q1 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 17/35 Q2 # |
Call Number |
UA @ lucian @ c:irua:6846 |
Serial |
2302 |
Permanent link to this record |
|
|
|
Author |
Hervieu, M.; Van Tendeloo, G.; Maignan, A.; Michel, C.; Goutenoire, F.; Raveau, B. |
Title |
New 1212-type superconductors with a Tc up to 85K in the system Hg-Pr-Sr-Ca-Cu-O |
Type |
A1 Journal article |
Year |
1993 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
Volume |
216 |
Issue |
|
Pages |
264-272 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
A1993ME74800005 |
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 |
66 |
Open Access |
|
Notes |
|
Approved |
CHEMISTRY, PHYSICAL 77/144 Q3 # MATHEMATICS, INTERDISCIPLINARY 19/101 Q1 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 17/35 Q2 # |
Call Number |
UA @ lucian @ c:irua:6845 |
Serial |
2303 |
Permanent link to this record |