Anharmonic and open-quotes disorderclose quotes models of ZnTe structure: High-temperature single-crystal X-ray diffraction studies

The structure of ZnTe was studied using single-crystal high-temperature X-ray diffraction. The experimental data are analyzed within two models. In the first model, the structure is refined assuming anharmonic thermal atomic vibrations. In the second model, the static displacements of metal atoms (static disorder) are considered. The expressions for structure factors are derived for both models. The temperature dependence of the refined parameters is discussed. It is shown that although these models cannot be distinguished on the statistical basis, the model of anharmonic vibrations is the only physically reasonable one. 23 refs., 3 figs