Characterization of amorphous In2O3: An ab initio molecular dynamics study

被引:21
作者
Aliano, Antonio [1 ]
Catellani, Alessandra [2 ]
Cicero, Giancarlo [3 ]
机构
[1] Politecn Torino, Dept Phys, I-10129 Turin, Italy
[2] CNR IMEM, I-43010 Parma, Italy
[3] Politecn Torino, Mat Sci & Chem Engn Dept, I-10129 Turin, Italy
关键词
OXIDE THIN-FILMS; TRANSPARENT CONDUCTING OXIDES; OPTICAL-PROPERTIES; INDIUM OXIDE; SEMICONDUCTORS; TEMPERATURE; TRANSISTORS; DEFECTS; INN;
D O I
10.1063/1.3664224
中图分类号
O59 [应用物理学];
学科分类号
摘要
In this work, we report on the structural and electronic properties of amorphous In2O3 obtained with ab initio molecular dynamics. Our results show crystal-like short range InO6 polyhedra having average In-O distance consistent with x-ray spectroscopy data. Structural disorder yields band tailing and localized states, which are responsible of a strong reduction of the electronic gap. Most importantly, the appearance of a peculiar O-O bond imparts n-type character to the amorphous compound and provides contribution for interpreting spectroscopic measurements on indium based oxidized systems. Our findings portray characteristic features to attribute transparent semiconductive properties to amorphous In2O3. (C) 2011 American Institute of Physics. [doi:10.1063/1.3664224]
引用
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页数:3
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