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The study of electronic structure and absorption coefficient of ZnTe:O alloys: A GGA+U method

Wu, Kong-Ping; Ye, Jiandong; Tang, Kun; Qi, Jian; Zhu, Shunming; Gu, Shulin


In this study the electronic structures and absorption coefficient for highly mismatched ZnTe<inf>1-x</inf>O<inf>x</inf> alloys have been investigated on the basis of the GGA+U approximation. It is found that an isolated intermediate band (E<inf>-</inf>) is formed within the band gap of ZnTe by the incorporation of low content of O (x < 0.0625) into ZnTe. In the range of the low O content, the variation of E<inf>-</inf> and E<inf>+</inf> is in agreement with the theoretical prediction by the...[Show more]

CollectionsANU Research Publications
Date published: 2015
Type: Journal article
Source: Computational Materials Science
DOI: 10.1016/j.commatsci.2015.07.027


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