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Shiyou Chen, Prineha Narang, Harry A. Atwater and Lin-Wang Wang Phase Stability and Defect Physics of a Ternary ZnSnN2 Semiconductor: First Principles Insights Advanced Materials 26

Version of Record online: 8 OCT 2013 | DOI: 10.1002/adma.201302727

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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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