First principles study on the p-type transparent conducting properties of rutile Ti1-xInxO2

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[1] [1,Niu, Mang

[2] Cheng, Daojian

[3] Huo, Lingjun

[4] Shao, Xiaohong

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Cheng, D. (chengdj@mail.buct.edu.cn) | 1600年 / Elsevier Ltd卷 / 539期

关键词：

Applicability of rutile Ti1-xInxO 2 as a new p-type TiO2-based transparent conducting oxide has been investigated by examining their electronic structures and optical absorption properties; based on density functional theory plus U calculations. It is found that In doped rutile TiO2 displays metal-like characteristics and the edges of the optical absorption spectra are gradually blue-shifted with the increase of In doping concentration. In addition; the proper In doping level; 12.5%; ≤; x; 18.75%; is proposed in order to achieve excellent conducting properties and high transparency in the visible light region from the calculations of optical absorption spectra in this work. © 2012 Elsevier B.V. All rights reserved;

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Journal article (JA)

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