Self-consistent statistical thermodynamics of an anharmonic one-dimensional crystal surface under pressure
Rodrigo S. Amorim,
Cláudio J. DaSilva and
J.N. Teixeira Rabelo
Physica A: Statistical Mechanics and its Applications, 2021, vol. 578, issue C
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.
Keywords: Anharmonic crystal; Pressure effect; Surface thermodynamic (search for similar items in EconPapers)
Date: 2021
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:578:y:2021:i:c:s0378437121003885
DOI: 10.1016/j.physa.2021.126115
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