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Microscopic Theory of Lattice Dynamics in Nonconducting Crystals
Author(s) -
Mitskevich V.
Publication year - 1974
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.2220610234
Subject(s) - lattice (music) , microscopic theory , dipole , physics , electron , condensed matter physics , matrix (chemical analysis) , density matrix , equations of motion , molecular dynamics , lattice energy , particle in a one dimensional lattice , crystal system , quantum , classical mechanics , crystal structure , quantum mechanics , lattice field theory , materials science , chemistry , crystallography , gauge theory , acoustics , composite material
A consistent quantum‐mechanical theory of lattice dynamics in nonconducting crystals is proposed. Using the density matrix a general expression for the energy of the molecular system is derived. Taking into account the dipole moments of the electron clouds of atoms the equations of motion for the crystal lattice are obtained and the contributions in the dynamical matrix from the long‐ and short‐range interactions are derived. The influence of the overlap of the electron clouds on the terms in the dynamical matrix expression is considered.