Investigation of the CdZnTe (2 1 1) and (1 3 3) films grown on GaAs (2 1 1) controlled by temperature: Experiment and first-principles calculations

•Both CdZnTe (211) and (133) epitaxial films were prepared on GaAs (211) by Close Spaced Sublimation.•CdZnTe (211)/GaAs are the best stable interfaces at the initial nucleation stage.•At lower growth temperature, a more stable interface structure results in the film maintaining the same orientation as substrate.•At higher growth temperature, only (133) nucleus can reach the critical size and thus stabilize the growth.