Dynamical theory of AIII BV‐type crystals with fractional and variable charges of ions
- 1 May 1971
- journal article
- research article
- Published by Wiley in Physica Status Solidi (b)
- Vol. 45 (1) , 71-83
- https://doi.org/10.1002/pssb.2220450107
Abstract
An adiabatic theory of lattice vibrations is developed for sphalerite type crystals, based on the concept that each pair of nearest atoms is bound by two electrons which state is a superposition of three parts, both electrons “belong” to one or the other atom or form a σ‐bond between them. The distortion of the electron wave function by atomic vibrations is described by a system of dipole moments of the electron shells 𝒫n, the coefficients of mentioned linear combination change by changing the mean charges of ions en. The adiabatic potential, containing all 𝒫n, en, and the equations of motion are introduced. For long wavelength oscillations the electrodynamical forces due to currents which flow along n‐n′‐bonds and which appear by the change of the charges en, become of great importance. Concrete calculations and comparisons with an experiment are given for GaAs.Keywords
This publication has 9 references indexed in Scilit:
- Covalent Bond in Crystals. II. Partially Ionic BindingPhysical Review B, 1968
- Crystal Dynamics of Gallium ArsenidePhysical Review B, 1963
- Lattice Vibrations of Zincblende Structure CrystalsPhysical Review B, 1963
- The electronic properties of tetrahedral intermetallic compounds I. Charge distributionProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1962
- Hartree-Fock Wave Functions for the-Shell AtomsPhysical Review B, 1961
- INTRODUCTIONPublished by Elsevier ,1961
- Theory of the Dielectric Constants of Alkali Halide CrystalsPhysical Review B, 1958
- Quantum Theory of Many-Particle Systems. III. Extension of the Hartree-Fock Scheme to Include Degenerate Systems and Correlation EffectsPhysical Review B, 1955
- XXXIV. Notes on the molecular orbital treatment of the hydrogen moleculeJournal of Computers in Education, 1949