Dopants in Hgcdte

In this paper the authors discuss the ab initio calculations of native point defect and impurity densities in HgCdTe. Their calculations have explained the experimental finding in general, and in particular have explained the in-active incorporation of the group 7 elements under mercury-deficient conditions; have shown that the group 1 elements have a large fraction of interstitial incorporation, thereby explaining their fast diffusion; and have described a microscopic mechanism for the amphoteric behavior of the group 5 elements. They discuss the trends found among the compounds in terms of the underlying bond strengths to understand why the various elements behave the way they do.

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