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Self-consistent statistical thermodynamics of an anharmonic one-dimensional crystal surface under pressure

Author

Listed:
  • Amorim, Rodrigo S.
  • DaSilva, Cláudio J.
  • Teixeira Rabelo, J.N.

Abstract

In this work, we use the unsymmetrized self-consistent field theory and the Gibbs’s method of excess functions to calculate surface thermodynamic properties of an anharmonic one-dimensional crystal surface under pressure. We find an overall decrease in the anharmonicity while increasing the pressure. Using some specific interatomic potential functions, we are able to corroborate the analytical results.

Suggested Citation

  • Amorim, Rodrigo S. & DaSilva, Cláudio J. & Teixeira Rabelo, J.N., 2021. "Self-consistent statistical thermodynamics of an anharmonic one-dimensional crystal surface under pressure," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 578(C).
    • Handle: RePEc:eee:phsmap:v:578:y:2021:i:c:s0378437121003885
    DOI: 10.1016/j.physa.2021.126115
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