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On the Mean Square Relative Atomic Displacements in Strongly Anharmonic Crystals
Author(s) -
Zubov V. I.,
Pascual M. F.,
Rabelo J. N. Teixeira,
de Faria A. C.
Publication year - 1994
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221820208
Subject(s) - anharmonicity , square (algebra) , mean square , harmonic , harmonic mean , physics , condensed matter physics , crystal (programming language) , mean field theory , field (mathematics) , quantum mechanics , molecular physics , atomic physics , mathematics , geometry , mathematical analysis , computer science , pure mathematics , programming language
The correlative method of unsymmetrized self‐consistent field is used to study the mean square relative atomic displacements in crystals taking into account the strong anharmonicity and interatomic correlations. General expressions for these quantities in arbitrary crystal lattices are obtained. As an illustration, the mean square relative displacements between nearest, second, and third neighbours in a strongly anharmonic linear chain are calculated. The results are compared with those obtained with more rough approximations (harmonic, quasi‐harmonic, etc.). The influence of anharmonic effects is discussed.