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

The origin and evolution of dual epitaxy in CdZnTe epilayer grown on GaAs substrates by close spaced sublimation has been studied, both (2 1 1) and (1 3 3) films are suitable for HgCdTe growth. And the effect of growth temperature on the orientation and crystalline quality of CdZnTe films has been investigated, more uniform orientation of adjoining growth islands in the growth of (1 3 3) film leads to a smoother surface with less threading dislocations and roughness. The interfacial properties of CdZnTe films were studied by the first-principles calculations combined with scanning transmission electron microscopy observations. By calculation the work of adhesion between the CdTe films and GaAs (2 1 1), obtain the CdTe (2 1 1)/GaAs (2 1 1) interface is the more stable interface structure at the initial nucleation stage. Combining to the results of experiment, at higher growth temperature, only (1 3 3) nucleus can reach the critical size and thus stabilize the growth. More importantly, the results on the dual epitaxy of CdZnTe films are expected to play a crucial role in guiding the dual epitaxy growth of other zincblende-type crystal.