Materials | |
First Principles Study on Electronic Structure and Optical Properties of Ternary GaAs:Bi Alloy | |
Lifei Yu2  Dechun Li1  Shengzhi Zhao2  Guiqiu Li2  | |
[1] School of Information Science and Engineering, ShandongUniversity, Jinan 250100, China; | |
关键词: band structure; partial density of states; optical properties; first principles; | |
DOI : 10.3390/ma5122486 | |
来源: mdpi | |
【 摘 要 】
The electronic structure and optical properties of ternary GaAs:Bi alloy are investigated by first principles calculations. It is found that the band gap of GaAs1-xBix decreases monotonously with the increasing of Bi concentration, resulting in the fundamental absorption edge and main absorption peaks of GaAs1-xBix shifting toward lower energy with the increase of the Bi content. The optical constants of GaAs1-xBix, such as the optical absorption coefficient, refractive index, extinction coefficient and optical conductivity, are greater than those of pure GaAs when x > 3.1%, but less than those of pure GaAs when x < 3.1%, which is primarily decided by the intraband level repulsions between Bi-induced states and host states on the valence bands; the contribution of Bi-6
【 授权许可】
CC BY
© 2012 by the authors; licensee MDPI, Basel, Switzerland.
【 预 览 】
Files | Size | Format | View |
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RO202003190040758ZK.pdf | 441KB | download |