Self-consistent statistical thermodynamics of an anharmonic one-dimensional crystal surface under pressure
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Data
2021
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Resumo
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 an harmonic 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
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Anharmonic crystal, Pressure effect, Surface thermodynamic
Citação
AMORIM, Rodrigo S.; SILVA, Cláudio J. da; RABELO, J. N. Rabelo. Self-consistent statistical thermodynamics of an anharmonic one-dimensional crystal surface under pressure. Physica A: statistical mechanics and its applications, Amsterdam, v. 578, e126115, 2021. DOI: 10.1016/j.physa.2021.126115. Disponível em: https://www.sciencedirect.com/science/article/pii/S0378437121003885. Acesso em: 19 jan. 2024.