Compensation mechanism for As donor in Hg1 − xCdxTe: The case of AsHg-VHg pair

Using first-principles method we studied the compensation mechanism of As donor in Hg1 − xCdx Te based on the model Berding et al. (1998, 1999) [1] of AsHg-VHg pair. We show that the binding of AsHg and VHg results from donor-acceptor coupling, and the compensation of As donor can be clearly explained in terms of electronic deactivation by VHg. The pairing physics derived from this study confirm the available theoretical and experimental results.