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Author Nikolaev, A.V.; Prassides, K.; Michel, K.H. openurl 
  Title Phase transitions in AC60 (A=Rb, Cs) fullerides Type A3 Journal article
  Year 1997 Publication Recent advances in the chemistry and physics of fullerenes and related materials Abbreviated Journal  
  Volume 5 Issue Pages 450-460  
  Keywords A3 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication 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 (up) Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:21182 Serial 2596  
Permanent link to this record
 
 
Author Bussmann-Holder, A.; Michel, K.H. openurl 
  Title Proton tunneling and nonlinear polarizability effects in hydrogen-bonded ferroelectrics Type P1 Proceeding
  Year 1998 Publication AIP conference proceedings T2 – 5th Williamsburg Workshop on 1st-Principles Calculations for, Ferroelectrics, FEB 01-04, 1998, WILLIAMSBURG, VA Abbreviated Journal  
  Volume Issue Pages 202-206  
  Keywords P1 Proceeding; Condensed Matter Theory (CMT)  
  Abstract Hydrogen-bonded ferroelectrics are modelled by a coupled spin/nonlinear lattice (polarizability) interaction Hamiltonian, where specifically the geometry of the hydrogen bond is included. The model leads to a structural phase transition and describes correctly the isotope effect due to the substitution H/D in hydrogen-bonded systems in terms of bond length changes.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York Editor  
  Language Wos 000075034000022 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue 436 Edition  
  ISSN 1-56396-730-8 ISBN Additional Links UA library record; WoS full record;  
  Impact Factor Times cited Open Access  
  Notes Approved (up) Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:104344 Serial 2733  
Permanent link to this record
 
 
Author Michel, K.H.; Nikolaev, A.V.; Verberck, B. openurl 
  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 UA library record; WoS full record;  
  Impact Factor Times cited Open Access  
  Notes Approved (up) Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:36883 Serial 3614  
Permanent link to this record
 
 
Author Bostoen, C.; Michel, K.H. openurl 
  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 UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.736 Times cited 33 Open Access  
  Notes Approved (up) no  
  Call Number UA @ lucian @ c:irua:939 Serial 773  
Permanent link to this record
 
 
Author Michel, K.H. doi  openurl
  Title Free energy and orientational phase transition in solid C60 Type A1 Journal article
  Year 1992 Publication Zeitschrift für Physik: B Abbreviated Journal  
  Volume 88 Issue Pages 71-78  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos A1992JB10700009 Publication Date 2005-04-28  
  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 33 Open Access  
  Notes Approved (up) no  
  Call Number UA @ lucian @ c:irua:2967 Serial 1275  
Permanent link to this record
 
 
Author Theuns, T.; Michel, K.H. doi  openurl
  Title Free energy and structural phase transitions in mixed crystals: a microscopic derivation Type A1 Journal article
  Year 1992 Publication Zeitschrift für Physik: B Abbreviated Journal  
  Volume 86 Issue Pages 125-131  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos A1992GV45100019 Publication Date 2005-03-26  
  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 1 Open Access  
  Notes Approved (up) no  
  Call Number UA @ lucian @ c:irua:44748 Serial 1276  
Permanent link to this record
 
 
Author Nikolaev, A.V.; Michel, K.H. url  doi
openurl 
  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 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 (up) no  
  Call Number UA @ lucian @ c:irua:16357 Serial 2034  
Permanent link to this record
 
 
Author Michel, K.H. doi  openurl
  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 (up) no  
  Call Number UA @ lucian @ c:irua:2973 Serial 2185  
Permanent link to this record
 
 
Author Lynden-Bell, R.M.; Michel, K.H. url  doi
openurl 
  Title Translation-rotation coupling, phase transitions and elastic phenomena in orientationally disordered crystals Type A1 Journal article
  Year 1994 Publication Reviews of modern physics Abbreviated Journal Rev Mod Phys  
  Volume 66 Issue Pages 721-762  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York Editor  
  Language Wos A1994PG73600003 Publication Date 2002-09-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0034-6861;1539-0756; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 29.604 Times cited 128 Open Access  
  Notes Approved (up) no  
  Call Number UA @ lucian @ c:irua:9359 Serial 3702  
Permanent link to this record
 
 
Author Callebaut, A.K.; Michel, K.H. url  doi
openurl 
  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 UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.736 Times cited 20 Open Access  
  Notes Approved (up) PHYSICS, APPLIED 28/145 Q1 #  
  Call Number UA @ lucian @ c:irua:104421 Serial 2031  
Permanent link to this record
 
 
Author Lamoen, D.; Michel, K.H. doi  openurl
  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 (up) PHYSICS, CONDENSED MATTER 11/54 Q1 #  
  Call Number UA @ lucian @ c:irua:5777 Serial 553  
Permanent link to this record
 
 
Author Zieliński, P.; Michel, K.H. url  doi
openurl 
  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  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos A1992JK72500049 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 4 Open Access  
  Notes Approved (up) PHYSICS, CONDENSED MATTER 16/67 Q1 #  
  Call Number UA @ lucian @ c:irua:2974 Serial 2029  
Permanent link to this record
 
 
Author Lamoen, D.; Michel, K.H. pdf  doi
openurl 
  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 (up) PHYSICS, CONDENSED MATTER 16/67 Q1 #  
  Call Number UA @ lucian @ c:irua:5779 Serial 2035  
Permanent link to this record
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