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Structural, electronic and elastic properties of wurtzite-structured TlxAl1−xN alloys from first principles

✍ Scribed by Shi, Liwei; Duan, Yifeng; Yang, Xianqing; Tang, Gang; Qin, Lixia; Qiu, Liang

Book ID: 119330745
Publisher: Elsevier Science
Year: 2012
Tongue: English
Weight: 465 KB
Volume: 15
Category: Article
ISSN: 1369-8001
DOI: 10.1016/j.mssp.2012.03.013

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Band energy structure of Ga x Al 1-x N solid alloy (x=0.15; 0.65) is calculated. All one-electron methods of band energy calculations (self-consistent norm-conserving pseudo-potential (NCPP), linear muffin tin orbital method (LMTO) and linear combination atomic orbital (LCAO)) methods give considera