Thermal expansion anisotropy and individual bond expansion coefficients in ternary chalcopyrite compounds

The individual bond expansion coefficients of the AIIBIVC2V and AIBIIIC2VI chalcopyrite compounds are calculated from the principal linear thermal expansion coefficients of the lattice parameters using the regular B-C 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 A3IIC2V, AIIC2V and B2IIIC3VI compounds. (author)