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

被引：85

作者：

Chen, Shiyou ^{[1
,2
]}

Narang, Prineha ^{[1
,3
]}

Atwater, Harry A. ^{[1
,3
]}

Wang, Lin-Wang ^{[1
,2
]}

机构：

[1] Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA

[2] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA

[3] CALTECH, Thomas J Watson Labs Appl Phys, Pasadena, CA 91125 USA

来源：

ADVANCED MATERIALS | 2014年 / 26卷 / 02期

基金：

美国国家科学基金会;

关键词：

OPTICAL-PROPERTIES; SOLAR-CELLS; NITRIDES; PREDICTION;

D O I：

10.1002/adma.201302727

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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

引用

页码：311 / 315

页数：5

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