Abstract
In this paper we discuss our ab initio calculations of native point defect and impurity densities in HgCdTe. Our calculations have explained the experimental finding in general, and in particular have explained the in-active incorporation of the group VII elements under mercury-deficient conditions; have shown that the group I 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 V elements. We 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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Acknowledgement
This work was supported by the U.S. Air Force Wright Laboratories through a subcontract with Universal Technology Corporation, subcontract no. 97-S402-SS-13-C1, and by DARPA through AFOSR contract no. F49620-95-C-0004. The work benefited from discussions with Mark van Schilfgaarde at SRI International.
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Berding, M.A., Sher, A. Dopants in HgCdTe. MRS Online Proceedings Library 484, 341–346 (1997). https://doi.org/10.1557/PROC-484-341
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DOI: https://doi.org/10.1557/PROC-484-341