Atomic structure of In2O3-ZnO systems

被引：35

作者：

Yan, Yanfa ^{[1
]}

Da Silva, Juarez L. F. ^{[1
]}

Wei, Su-Huai ^{[1
]}

Al-Jassim, Mowafak ^{[1
]}

机构：

[1] Natl Renewable Energy Lab, Golden, CO 80401 USA

来源：

APPLIED PHYSICS LETTERS | 2007年 / 90卷 / 26期

关键词：

D O I：

10.1063/1.2751596

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

The authors present first-principles density-functional theory studies on the atomic structure of the In2O3-ZnO system. They find that the In2O3-ZnO system has a polytypoid structure, which consists of wurtzite (Zn/In)O slabs separated by single In-O octahedral layers that are inversion boundaries. Another type of boundary with polarity inversion formed by fivefold coordinated In and Zn atoms exists inside the (Zn/In)O slabs. The authors find that these polarity-inversion boundaries inside the (Zn/In)O slabs prefer a low-energy modulated structure. (c) 2007 American Institute of Physics.

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页数：3

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