Proykova, A; Nikolova, D; Berry, RS; (2002) Symmetry in order-disorder changes of molecular clusters. PHYS REV B , 65 (8) , Article 085411. 10.1103/PhysRevB.65.085411.
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Clusters of octahedral AF(6) molecules transform when cooled from a body-centered-cubic, orientationally disordered phase to a monoclinic, orientationally ordered phase in a two-step process. Recently, the higher-temperature transition has been shown to be a finite-system counterpart of a first-order transition. Here, with the help of symmetry-adapted rotator functions, we show that the lower-temperature transition is continuous. With our analytical model, we predict a temperature of 27 K for this transition, for a 59-molecule cluster of TeF6, consistent with the similar to30-K result from canonical Monte Carlo calculations.
|Title:||Symmetry in order-disorder changes of molecular clusters|
|Keywords:||PHASE-TRANSITIONS, NONCRYSTALLINE STRUCTURE, ORIENTATIONAL ORDER, ARGON CLUSTERS, DYNAMICS, CRYSTALS, SURFACE|
|UCL classification:||UCL > School of BEAMS > Faculty of Maths and Physical Sciences > London Centre for Nanotechnology|
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