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Model of V Hg Incorporation in Arsenic-Doped HgCdTe: First-Principles Calculations

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Abstract

Following the suggestion that the AsHg–V Hg and AsHg–2V Hg defect complexes are potential sources of carrier compensation observed in As-doped HgCdTe, we have studied the electronic properties and formation energies of these complexes. We find that these complexes are electrically active acceptors but have exceedingly high formation energies, meaning that they play no role in carrier compensation except at low temperatures. V Hg will thus likely remain as an isolated defect. Such a model of V Hg incorporation allows us to further predict the postgrowth As activation. Our prediction emphasizes the AsHg–2V Hg complex as the starting defect for As activation, rather than the AsHg–V Hg pair as previously suggested.

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Acknowledgements

This work was supported by the Thousand Hundred Ten Projects in Guangdong Province, the National Natural Science Foundation of China (Grant No. 10847111), the Startup Project for PHD of GUT (Grant No. 083034), and the Fundamental Research Funds for the Central Universities of SCUT (Grant No. 2009ZM0022).

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Authors and Affiliations

  1. School of Physics and Optoelectronic Engineering, Guangdong University of Technology, Guangzhou, 510006, China

    H. Duan

  2. School of Physics, South China University of Technology, Guangzhou, 510640, China

    Y. Z. Dong

  3. National Laboratory for Infrared Physics, Shanghai Institute of Technical Physics, Chinese Academy of Sciences, Shanghai, 200083, China

    Y. Huang, X. S. Chen & W. Lu

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  1. H. Duan
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  2. Y. Z. Dong
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  3. Y. Huang
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  4. X. S. Chen
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  5. W. Lu
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Correspondence to H. Duan.

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Duan, H., Dong, Y.Z., Huang, Y. et al. Model of V Hg Incorporation in Arsenic-Doped HgCdTe: First-Principles Calculations. J. Electron. Mater. 42, 1010–1016 (2013). https://doi.org/10.1007/s11664-013-2495-1

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