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Microscopic theory of lattice dynamics in nonconducting crystals. II. One‐electron approximation
Author(s) -
Mitskevich V.
Publication year - 1975
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.2220670230
Subject(s) - polarizability , ion , electron , ionic bonding , lattice (music) , lattice energy , crystal (programming language) , physics , crystal structure , condensed matter physics , chemical physics , atomic physics , chemistry , quantum mechanics , crystallography , molecule , computer science , programming language , acoustics
In the one‐electron approximation and taking into account the deformation of the electron clouds of ions (atoms) formulas for the cohesion energy and the dynamical matrix of a crystal which ions have closed shells are derived. Under certain admissions the connection among the different constituents of the dynamical matrix is defined and expressions for the effective ionic charge, the polarizability of ions in a crystal, and the short‐range potential of a lattice are determined. The results obtained are written in the S 2 ‐approximation.