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On Elastic Properties of Covalent Crystals
Author(s) -
Vukcevich M. R.
Publication year - 1970
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.19700400120
Subject(s) - monatomic gas , covalent bond , force constant , diamond , thermodynamics , atomic orbital , materials science , function (biology) , parametric statistics , computational chemistry , chemistry , physics , quantum mechanics , molecule , mathematics , electron , statistics , evolutionary biology , composite material , biology
Elastic properties of cubic, covalently bonded, monoatomic solids are discussed in terms of a new model based on a general expression for the potential energy which is a function of the interatomic distances and angles between the bonding electronic orbitals. Earlier theories are based on parametric expressions for forces, and cannot be used to obtain any additional information. The energy method used here is as general as the classical central force model. Hooke's law for high pressures is derived and effective elastic constants and their pressure derivatives are formulated. Diamond is used as a model solid, and encouraging agreement was found between the theoretical predictions and measured values of the second‐order elastic constants and the Grüneisen parameter.