Thermal expansion of CuInSe2 in the 11–1,073 K range: an X-ray diffraction study

Structural and elastic properties of chalcopyrite-type CuInSe2 are determined in almost full stability range of temperature from 11 to 1,073 K, by in situ X-ray diffraction, employing a synchrotron-radiation source. The studied polycrystalline sample was prepared from a stoichiometric single crystal. Phase analysis reveals the formation of a trace amount of indium oxide impurity phase at the highest temperatures studied. From the obtained smooth lattice-parameter dependencies on temperature, the temperature dependencies of thermal expansion coefficients are derived. These coefficients are found to follow the trends previously reported for narrow temperature intervals. The present results provide a clear experimental evidence that the linear expansion coefficient is slightly negative below 47 K in both, a and c, directions; this temperature limit is in between the previously reported theoretical value (35 K) and the experimental ones (60 and 80 K) of such limit.