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Energy Sciences

Lawrence Berkeley National Laboratory

Phase Stability and Defect Physics of a Ternary ZnSnN2 Semiconductor: First Principles Insights

Published Web Location

https://onlinelibrary.wiley.com/doi/abs/10.1002/adma.201302727
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Abstract

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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