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The method of lattice statics for excess electron defects with non‐harmonic lattice distortionx
Author(s) -
Vail J. M.
Publication year - 1971
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.2220440145
Subject(s) - statics , lattice (music) , condensed matter physics , physics , empty lattice approximation , electron , crystal system , particle in a one dimensional lattice , statistical physics , crystal structure , lattice field theory , quantum mechanics , chemistry , crystallography , gauge theory , acoustics
The method of lattice statics (Kanzaki method) as extended by Stoneham to determine the lattice distortion, electronic state, and energy of an excesselectron defect in a crystal, is developed in detail to include the case where the defect region, region I, contains non‐harmonic lattice distortion. General expressions are derived for the energies of states in which the lattice is relaxed, and in which it is unrelaxed, leading to evaluation of Franck‐Condon‐type electronic transition energies and the Stokes shift. Details of the method of solution are included, in a unified general formulation.