On the influence of non-nearest neighbor interactions and anharmonicity on the atomic properties of a crystal surface: One-dimensional model

We describe self-consistently the effects of non-nearest neighbor interactions and anharmonicity on the atomic properties of a crystal surface. An approach is developed based on the unsymmetrized self-consistent field approximation (USF). The structural, dynamical and thermodynamic properties of a semi-infinite linear chain are studied in the classical limit. Expressions for the lattice relaxation in the vicinity of the surface, the mean-squared atomic displacements and for the surface energy and free energy are obtained. Quantitative estimates were made using the Lennard-Jones 6-12 interatomic potential.

Authors
Rabelo J.N.T.1 , Zubov V.I. 1, 2 , Da Silva A.L.C.
Editors
-
Publisher
-
Number of issue
3
Language
English
Pages
589-596
Status
Published
Department
-
Number
-
Volume
236
Year
2003
Organizations
  • 1 Institute de Física, Universidade Federal de Goiás, 74001-970 Goiânia, GO, Brazil
  • 2 Department of Theoretical Physics, People's Friendship University, Moscow, Russian Federation
Keywords
-
Date of creation
19.10.2018
Date of change
19.10.2018
Short link
https://repository.rudn.ru/en/records/article/record/70/