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Author Huve, M.; Martin, C.; Maignan, A.; Michel, C.; Van Tendeloo, G.; Hervieu, M.; Raveau, B.
Title A new cuprate with mercury bilayers : the “2222” oxide Hg2-xMxBa2Pr2Cu2O10-\delta (M= Cu,Pr) Type A1 Journal article
Year 1995 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 114 Issue 1 Pages 230-235
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A ''2222'' cuprate with mercury bilayers (Hg1.5Cu0.2Pr0.3)Ba2Pr2Cu2O10-delta, has been synthesized for the first time. It crystallizes in the P4/nmm space group with a = 3.9072(1) Angstrom and c = 17.219(1) Angstrom. The powder XRD and HREM studies of this new cuprate show that its structure consists of an intergrowth of double pyramidal (oxygen-deficient perovskite) copper layers, with double fluorite-type layers and distorted triple rock salt layers (mercury bilayers). The structure of this phase can be deduced from that of the ''2212'' mercury cuprate (Hg1.5Cu0.2Pr0.3)Ba2PrCu2O8-delta by the introduction of one additional [PrO2]infinity fluorite layer. The regular stacking of the metallic layer and the uniform cationic distribution in the mercury bilayers are remarkable features of this cuprate. The stabilization of the mercury bilayers by praseodymium and the absence of superconductivity are discussed. (C) 1995 Academic Press, Inc.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1995QA17000033 Publication Date 2002-10-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
Impact Factor 2.133 Times cited 6 Open Access
Notes Approved PHYSICS, APPLIED 28/145 Q1 #
Call Number UA @ lucian @ c:irua:104448 Serial 2310
Permanent link to this record
 
 
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
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos A1995TK97900042 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 (down) 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
 
 
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 (down) 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 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
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000188940800019 Publication Date 2004-05-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0065-3276; ISBN Additional Links (down) 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
 
 
Author Verberck, B.; Nikolaev, A.V.; Michel, K.H.
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.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000228763100035 Publication Date 2005-04-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links (down) 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
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 (down) 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 Bussmann-Holder, A.; Dalal, N.; Michel, K.H.
Title Polarizability induced cooperative proton ordering, coexistence of order/disorder and displacive dynamics and isotope effects in hydrogen-bonded systems Type A1 Journal article
Year 2000 Publication The journal of physics and chemistry of solids T2 – Williamsburg Workshop on Ferroelectrics 99, JAN 31-FEB 03, 1999, WILLIAMSBURG, VIRGINIA Abbreviated Journal J Phys Chem Solids
Volume 61 Issue 2 Pages 271-274
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Despite the general belief that hydrogen-bonded ferro- and antiferroelectrics undergo a pure order/disorder transition at the structural instability, new NMR data and a new theoretical concept yield convincing evidence that a pronounced displacive component is present in these systems, which modifies substantially the temperature dependencies of the tunnel and lattice mode frequencies. The experiments and their interpretation are presented. (C) 1999 Elsevier Science Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Pergamon-elsevier science ltd Place of Publication Oxford Editor
Language Wos 000084147000020 Publication Date 2002-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3697; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
Impact Factor 2.059 Times cited 8 Open Access
Notes Approved Most recent IF: 2.059; 2000 IF: 1.003
Call Number UA @ lucian @ c:irua:103469 Serial 2660
Permanent link to this record
 
 
Author Verberck, B.; Michel, K.H.; Nikolaev, A.V.
Title Crystal structures of polymerized fullerides AC60, A=K, Rb, Cs, and alkali-mediated interactions Type A1 Journal article
Year 2002 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
Volume 116 Issue 23 Pages 10462-10474
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Starting from a model of rigid interacting C-60 polymer chains on an orthorhombic lattice, we study the mutual orientation of the chains and the stability of the crystalline structures Pmnn and I2/m. We take into account (i) van der Waals interactions and electric quadrupole interactions between C-60 monomers on different chains as well as (ii) interactions of the monomers with the surrounding alkali atoms. The direct interactions (i) always lead to an antiferrorotational structure Pmnn with alternate orientation of the C-60 chains in planes (001). The interactions (ii) with the alkalis consist of two parts: translation-rotation (TR) coupling where the orientations of the chains interact with displacements of the alkalis, and quadrupolar electronic polarizability (ep) coupling, where the electric quadrupoles on the C-60 monomers interact with induced quadrupoles due to excited electronic d-states of the alkalis. Both interactions (ii) lead to an effective orientation-orientation interaction between the C-60 chains and always favor the ferrorotational structure I2/m, where C-60 chains have a same orientation. The structures Pmnn for KC60 and I2/m for Rb- and CsC60 are the result of a competition between the direct interaction (i) and the alkali-mediated interactions (ii). In Rb- and CsC60 the latter are found to be dominant, the preponderant role being played by the quadrupolar electronic polarizability of the alkali ions. (C) 2002 American Institute of Physics.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000175905800044 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-9606; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
Impact Factor 2.965 Times cited 12 Open Access
Notes Approved Most recent IF: 2.965; 2002 IF: 2.998
Call Number UA @ lucian @ c:irua:103350 Serial 578
Permanent link to this record
 
 
Author Verberck, B.; Nikolaev, A.V.; Michel, K.H.
Title Theoretical model for the structural phase transition and the metal-insulator transition in polymerized KC60 Type A1 Journal article
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
Volume 12 Issue 1-2 Pages 243-252
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
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.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000220551600040 Publication Date 2004-03-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1536-383X;1536-4046; ISBN Additional Links (down) UA library record; WoS full record
Impact Factor 1.35 Times cited Open Access
Notes Approved Most recent IF: 1.35; 2004 IF: 1.117
Call Number UA @ lucian @ c:irua:103259 Serial 3607
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 (down) 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 Bussmann-Holder, A.; Michel, K.H.
Title The isotope effect in hydrogen-bonded systems Type A1 Journal article
Year 1998 Publication International journal of modern physics: B: condensed matter physics, statistical physics, applied physics T2 – 1st International Conference on New Theories, Discoveries, and, Applications of Superconductors and Related Materials (New3SC-1), FEB 19-24, 19 Abbreviated Journal Int J Mod Phys B
Volume 12 Issue 29-31 Pages 3406-3408
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The giant isotope effect on the ferro- and antiferroelectric transition temperature upon deuteration of hydrogen-bonded systems is well known experimentally since various decades. Yet, theoretically only recently a microscopic understanding of this effect has been achieved which, specifically, took into account the geometry of the O ... H ... O bond. The implications of this modeling are multiple as numerous hydrogen-bonded organic systems show the same effects as ferro- and antiferroelectrics, i.e., cooperative proton tunneling at a well-defined temperature.
Address
Corporate Author Thesis
Publisher Place of Publication Singapore Editor
Language Wos 000079114500104 Publication Date 2003-10-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0217-9792;1793-6578; ISBN Additional Links (down) UA library record; WoS full record
Impact Factor 0.736 Times cited Open Access
Notes Approved Most recent IF: 0.736; 1998 IF: 0.987
Call Number UA @ lucian @ c:irua:102920 Serial 3589
Permanent link to this record
 
 
Author Nikolaev, A.V.; Michel, K.H.
Title Superexchange and electron correlations in alkali fullerides AC60, A=K, Rb, Cs Type A1 Journal article
Year 2005 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
Volume 122 Issue 6 Pages 064310-64314
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Superexchange interactions in alkali fullerides AC(60) are derived for C-60 molecular ions separated by interstitial alkali-metal ions. We use a multiconfiguration approach which comprises the lowest molecular orbital states of the C-60 molecule and the excited s and d states of the alkali-metal atom A. Interactions are described by the valence bond (Heitler-London) method for a complex (C-60 – A – C-60) – with two valence electrons. The electronic charge transfer between the alkali-metal atom and a neighboring C-60 molecule is not complete. The occupation probability of excited d and s states of the alkali atom is not negligible. In correspondence with the relative positions of the C-60 molecules and A atoms in the polymer crystal, we consider 180degrees and 90degrees (angle) superexchange pathways. For the former case the ground state is found to be a spin singlet separated from a triplet at similar to20 K. For T < 20 K there appear strong spin correlations for the 180degrees superexchange pathway. The results are related to spin lattice relaxation experiments on CsC60 in the polymerized and in the quenched cubic phase. (C) 2005 American Institute of Physics.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000226918100018 Publication Date 2005-02-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-9606; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
Impact Factor 2.965 Times cited 11 Open Access
Notes Approved Most recent IF: 2.965; 2005 IF: 3.138
Call Number UA @ lucian @ c:irua:102740 Serial 3377
Permanent link to this record
 
 
Author Verberck, B.; Heresanu, V.; Rouziere, S.; Cambedouzou, J.; Launois, P.; Kovats, E.; Pekker, S.; Vliegenthart, G.A.; Michel, K.H.; Gompper, G.
Title Fullerene-cubane : X-ray scattering experiments and Monte Carlo simulations Type A1 Journal article
Year 2008 Publication Fullerenes, nanotubes, and carbon nanostructures T2 – 8th Biennial International Workshop on Fullerenes and Atomic Clusters, (IWFAC 2007), JUL 02-06, 2007, St Petersburg, RUSSIA Abbreviated Journal Fuller Nanotub Car N
Volume 16 Issue 5-6 Pages 293-300
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract We report single-crystal X-ray diffuse scattering measurements on C-60.C8H8 fullerene-cubane showing that the C-60 molecules are orientationally disordered at 300 and 150K and get ordered at low temperatures. Monte Carlo simulations provide further insight in the orientational behavior of both C-60 and C8H8 molecules; low-temperature molecular orientations are predicted.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000259645200003 Publication Date 2008-09-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1536-383X;1536-4046; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
Impact Factor 1.35 Times cited 6 Open Access
Notes Approved Most recent IF: 1.35; 2008 IF: 0.680
Call Number UA @ lucian @ c:irua:102640 Serial 1295
Permanent link to this record
 
 
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 (down) 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 (down) 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 Verberck, B.; Nikolaev, A.V.; Michel, K.H.
Title Theoretical model for the structural phase transition at the metal-insulator transition in polymerized KC60 Type A1 Journal article
Year 2002 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 66 Issue 16 Pages 165425-165425,14
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The recently discovered structural transition in polymerized KC60 at about 50 K results in a doubling of the unit cell volume and accompanies the 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 small orientational charge density waves along the polymer chains and concomitant displacements of the surrounding K+ ions. The effect is specific for the space group Pmnn of KC60 and is absent in RbC60 and CsC60 (space group I2/m). The mechanism is relevant for the metal-insulator transition.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000179286400135 Publication Date 2002-10-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 10 Open Access
Notes Approved Most recent IF: 3.836; 2002 IF: NA
Call Number UA @ lucian @ c:irua:94907 Serial 3608
Permanent link to this record
 
 
Author Verberck, B.; Nikolaev, A.V.; Michel, K.H.
Title Orientational charge density waves and the metal-insulator transition in polymerized KC60 Type A1 Journal article
Year 2004 Publication AIP conference proceedings Abbreviated Journal
Volume 723 Issue Pages 339-342
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Polymerized KC60 undergoes a structural phase transition accompanied by a metal-insulator transition around 50 K. To explain the structural aspect, a mechanism involving small orientational deviations of the valence electron density on every C-60 monomer orientational charge density waves (OCDWs) – has already been proposed earlier. In the present work, we address the metal-insulator transition using the OCDW concept. We are inspired by the analogy between a polymer chain exhibiting an OCDW and a linear atomic chain undergoing a static lattice deformation doubling the unit cell: such a deformation implies a band gap at the zone boundary, yielding an insulating state (Peierls instability). Within our view, a similar mechanism occurs in polymerized KC60; the OCDW plays the role of the lattice deformation. We present tight-binding band structure calculations and conclude that the metal-insulator transition can indeed be explained using OCDWs, but that the threedimensionality of the crystal plays an unexpected key role.
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 Series Issue Edition
ISSN 0094-243x ISBN Additional Links (down) UA library record; WoS full record;
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:94831 Serial 2513
Permanent link to this record
 
 
Author Michel, K.H.; Verberck, B.; Nikolaev, A.
Title Mercator maps of orientations of a C60 molecule in single-walled nanotubes with distinct radii Type A1 Journal article
Year 2005 Publication AIP conference proceedings Abbreviated Journal
Volume 786 Issue Pages 69-72
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study the confinement of a C-60 molecule encapsulated in a cylindrical nanotube as a function of the tube radius. Drawing the Mercator maps of the potential, we find two distinct molecular orientations; for tubes with small radii, R-T less than or similar to 7 angstrom, a fivefold axis of the molecule coincides with the tube long axis, for larger radii, R-T less than or similar to 8 angstrom, a threefold axis of the molecule coincides with the tube long axis. These different orientations are caused by the relative importance of the repulsive and the attractive parts of the van der Waals potentials of the molecule with the tube wall for small and large tubes respectively. Experimental evidence is provided by the apparent splitting of A(g) modes of the C-60 molecule in resonant Raman scattering.
Address
Corporate Author Thesis
Publisher Amer inst physics Place of Publication Melville Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0094-243x ISBN Additional Links (down) UA library record; WoS full record;
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:94738 Serial 1993
Permanent link to this record
 
 
Author Bostoen, C.; Michel, K.H.
Title Dynamics of a quadrupolar glass Type A1 Journal article
Year 1991 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 43 Issue Pages 4415-4422
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos A1991EX92100073 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121; 0163-1829 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
Impact Factor 3.736 Times cited 33 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:939 Serial 773
Permanent link to this record
 
 
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 (down) 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 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 Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-4534 ISBN Additional Links (down) 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
 
 
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 (down) 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
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Author Maignan, A.; Michel, C.; Van Tendeloo, G.; Hervieu, M.; Raveau, B.
Title Superconductivity up to 110K in the 1212-Hg based cuprate Nd1-xCaxBa2Hg1-xCu2+xO6+y Type A1 Journal article
Year 1993 Publication Physica: C : superconductivity Abbreviated Journal Physica C
Volume 216 Issue Pages 1-5
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1993MD16100001 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-4534 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
Impact Factor 0.942 Times cited 32 Open Access
Notes Approved PHYSICS, APPLIED 28/145 Q1 #
Call Number UA @ lucian @ c:irua:6848 Serial 3375
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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 (down) 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 (down) 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
 
 
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 (down) 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
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Author Goutenoire, F.; Daniel, P.; Hervieu, M.; Van Tendeloo, G.; Michel, C.; Maignan, A.; Raveau, B.
Title New mercury-based superconductors with the “1201” structure Hg0.4Pr0.6Sr2-xPrxCuO4+\delta and Hg0.3Pb0.7Sr2-xLaxCuO4+\delta Type A1 Journal article
Year 1993 Publication Physica: C : superconductivity Abbreviated Journal Physica C
Volume 216 Issue Pages 243-249
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1993ME74800002 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-4534 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
Impact Factor 0.942 Times cited 50 Open Access
Notes Approved
Call Number UA @ lucian @ c:irua:6843 Serial 2322
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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 (down) 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
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Author Michel, K.H.; Nikolaev, A.V.; Verberck, B.
Title Theory of crystal structures of polymerized C60-fullerite and fullerides AC60, A=K, Rb, Cs Type H1 Book chapter
Year 2001 Publication Abbreviated Journal
Volume Issue Pages
Keywords H1 Book chapter; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication s.l. Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume 462-465 Series Issue Edition
ISSN ISBN Additional Links (down) UA library record; WoS full record;
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:36883 Serial 3614
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Author Nikolaev, A.V.; Michel, K.H.; Copley, J.R.D.
Title Orientational disorder and order in C60-fullerite and in MC60-alkali metal fullerides Type H3 Book chapter
Year 1999 Publication Abbreviated Journal
Volume Issue Pages 183-214
Keywords H3 Book chapter; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Plenum Press Place of Publication New York Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links (down) UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:28505 Serial 2515
Permanent link to this record