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Solid-solid transitions induced by repulsive interactions

J. Chem. Phys. 114, 2268 (2001); doi:10.1063/1.1321040

Issue Date: 1 February 2001

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P. C. Hemmer
Institutt for fysikk, NTNU, N-7091 Trondheim, Norway

E. Velasco
Departamento de Física Teórica de la Materia Condensada, Universidad Autónoma de Madrid, E-28049 Madrid, Spain

L. Mederos
Instituto de Ciencia de Materiales de Madrid, Consejo Superior de Investigaciones Científicas, E-28049 Madrid, Spain

G. Navascués
Departamento de Física Teórica de la Materia Condensada, Universidad Autónoma de Madrid, E-28049 Madrid, Spain

G. Stell
Department of Chemistry, State University of New York, Stony Brook, New York 11794-3400
We show that a rich variety of crystalline structures, and a corresponding diversity of the associated phase diagrams, result from the presence in the pair potential of a soft repulsion in addition to a hard core. We use different forms for the soft repulsion, and show that the results are sensitive to the details of the potentials (in particular, their convexity) even if the range of the soft repulsion is limited to a small fraction of the hard-core diameter. Our demonstration combines exact ground-state analysis with first-order perturbation theory at finite temperatures. The relevance of our work to certain features found in real systems is also discussed. ©2001 American Institute of Physics.
History: Received 18 July 2000; accepted 7 September 2000
Permalink: http://link.aip.org/link/?JCPSA6/114/2268/1
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KEYWORDS and PACS

Keywords
PACS
  • 64.70.Kb
    Equations of state, phase equilibria, and phase transitions Specific phase transitions Solid–solid transitions
  • 64.60.-i
    Equations of state, phase equilibria, and phase transitions General studies of phase transitions
  • YEAR: 2001

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PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
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REFERENCES (18)
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