On the symmetry of phosphorous doped ZnSe

[摘要] The site symmetry of P doped ZnSe is analysed in detail here, as the recent experiments suggest two possible symmetries $T_d$ and $C_{3V}$. The reduction to $C_{3V}$ is attributed to the presence of natural impurity, Ga. Our calculations based on molecular model and Green’s functions suggest that the symmetry $C_{3V}$ is possible with ZnSe : P when Jahn Teller distortion of about ∼ 0.2 Ã�? (towards one of Zn atom) is assumed. This has been supported by other experiments.

[学科分类] 材料工程

[关键词] ZnSe;localized vibrational modes;$T_d$ and $C_{3V}$ symmetries;Jahn Teller distortion;Green’s function;molecular model.