Band gaps of GaPN and GaAsN alloys
作者:
L. Bellaiche,
S.-H. Wei,
Alex Zunger,
期刊:
Applied Physics Letters
(AIP Available online 1997)
卷期:
Volume 70,
issue 26
页码: 3558-3560
ISSN:0003-6951
年代: 1997
DOI:10.1063/1.119232
出版商: AIP
数据来源: AIP
摘要:
The importance of atomic relaxations, chemical disorder, and epitaxial constraints on the band gap of random, anion-mixed nitride alloys GaPN and GaAsN have been investigated, via pseudopotentials calculation. It has been demonstrated that simple approximations such as the virtual crystal approximation, or the use of high-symmetry ordered structure to mimic a random alloy, or the neglect of atomic displacements, are inadequate. It is found that a fully relaxed, large supercell calculation reproduces well the experimental band gaps of GaPN and GaAsN films. ©1997 American Institute of Physics.
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