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Open Access Publications from the University of California

Phase stability and defect physics of a ternary ZnSnN(2) semiconductor: first principles insights.

  • Author(s): Chen, Shiyou;
  • Narang, Prineha;
  • Atwater, Harry A;
  • Wang, Lin-Wang
  • et al.

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First-principles calculations show that ZnSnN2 has a very small formation enthalpy, and the donor defects such as SnZn antisites and ON impurities have high concentration, making the material degenerately n-type, which explains the observed high electron concentration. ZnSnN2 can be regarded as a new material that combines a metal-like conductivity with an optical bandgap around 2 eV.

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