作者: Takumi Tomita , Kazuyoshi Yamashita , Yoshinori Hayafuji , Hirohiko Adachi
DOI: 10.1063/1.2001741
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摘要: This study explores the origin of native donor in undoped In2O3. The electronic structure various point defects In2O3 clusters is studied using first-principles molecular orbital calculation. results show that an oxygen vacancy cannot act as a donor, because defect level formed much lower than bottom conduction band. However, interstitial indium can generate shallow level, close to band, and even shallower when it associates with vacancy. It concluded indium, but also existence absolutely essential for carrier generation.