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A pseudopotential approach to the lattice parameters for GaAs containing impurity elements
Author(s) -
Ito T.
Publication year - 1983
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.2221190135
Subject(s) - pseudopotential , impurity , lattice (music) , tetrahedron , semiconductor , lattice energy , crystal structure , lattice constant , materials science , bulk modulus , condensed matter physics , crystal (programming language) , chemistry , thermodynamics , physics , crystallography , quantum mechanics , diffraction , acoustics , optoelectronics , computer science , programming language
Abstract A simple numerical calculation, which is applicable to estimate the impurity effects of tetrahedral compounds containing various kinds of impurity, is performed by using a pseudopotential perturbation treatment based on a simplified Heine‐Abarenkov model potential. The author proposes a new calculation method to determine potential parameters for the component elements of III–V compound semiconductors. Calculated values of total crystal energy and bulk modulus are in good agreement with the previously reported experimental data. A calculation application to GaAs lattice parameter changes caused by group VI elements (S, Se, Te) is successfully achieved.