Electronic Structure and Optical Property Analysis of Al/Ga-Codoped ZnO through First-Principles Calculations

Electronic Structure and Optical Property Analysis of Al/Ga-Codoped ZnO through First-Principles Calculations

Using density functional theory and the Hubbard U method, we investigated the geometric structure, electronic structure, and optical property of Al/Ga-codoped ZnO. A 3 × 3 × 3 ZnO supercell was used to construct Al- and Ga-monodoped ZnO structures and Al/Ga-codoped ZnO (AGZO) structures. All three s...

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Bibliographic Details
Main Authors: Chieh-Cheng Chen, Hsuan-Chung Wu
Format: Article
Language:English
Published: MDPI AG 2016-03-01
Series:Materials
Subjects:
first-principles calculations
AGZO
electronic structure
optical properties
Online Access:http://www.mdpi.com/1996-1944/9/3/164

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http://www.mdpi.com/1996-1944/9/3/164

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