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Thermal expansion anisotropy and individual bond expansion coefficients in ternary chalcopyrite compounds
Author(s) -
Neumann H.
Publication year - 1987
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.2170220519
Subject(s) - thermal expansion , chalcopyrite , anisotropy , ternary operation , thermodynamics , tetrahedron , bond length , lattice (music) , chemistry , materials science , crystallography , crystal structure , physics , copper , organic chemistry , computer science , acoustics , programming language , quantum mechanics
The individual bond expansion coefficients of the A II B IV C 2 Vand A I B III C 2 VI chalcopyrite compounds are calculated from the principal linear thermal expansion coefficients of the lattice parameters using the regular BC tetrahedron model and a model with a temperature independent free parameter of the lattice. It is shown that the bond expansion coefficients derived from the latter model are in better agreement with the trends found for the interatomic forces in the chalcopyrite compounds and observed for the thermal expansion coefficients in the binary A 3 II C 2 V , A II C 2 Vand B 2 III C 3 VIcompounds.