Coordination-dependent equations of state and pair potentials for cold metal crystals

N. H. March, M. P. Tosi, and D. J. Klein
Phys. Rev. B 52, 9115 – Published 1 October 1995
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Abstract

Using a nearest-neighbor Heisenberg Hamiltonian approach, stemming from ideas of Poshusta and Klein, and based on results of Malrieu et al. for alkali and noble metals, a coordination-number- (c)-dependent equation of state at T=0 for metal crystals is proposed. From such a representation of the pressure and the cohesive energy, a method of Carlsson et al. can be used to extract a pair potential φc(r) which is density independent. Recent work of Robertson et al., stimulated by glue models of interatomic forces, fits into the above class of coordination-dependent properties over a limited range of near-neighbor distance.

  • Received 17 February 1995

DOI:https://doi.org/10.1103/PhysRevB.52.9115

©1995 American Physical Society

Authors & Affiliations

N. H. March

  • Inorganic Chemistry Department, University of Oxford, South Parks Road, Oxford OX1 3UB, England

M. P. Tosi

  • Scuola Normale Superiore, Piazza dei Cavalieri 7, I-56126 Pisa, Italy

D. J. Klein

  • Theoretical Chemistry Department, University of Oxford, 5 South Parks Road, Oxford OX1 3UB, England

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Vol. 52, Iss. 13 — 1 October 1995

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