Comment on band gap bowing and electron localization of Ga X In1-XN [J. Appl. Phys. 100, 093717 (2006)]

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作者：
Bagayoko, D. [1 ]
Franklin, L. [1 ]
Zhao, G.L. [1 ]
Jin, H. [1 ]
机构：
[1] Department of Physics, Southern University, A and M College, Baton Rouge, LA 70813, United States
来源：
Journal of Applied Physics | 2008年 / 103卷 / 09期
关键词：
Some previous density functional theory (DFT) calculations of the band gap of wurtzite and cubic InN; before the work of Lee and Wang [J. Appl. Phys. 100; 093717; (2006); are in agreement with the screened-exchange findings of these authors and with experiment. These previous findings point to an intrinsic capability of DFT; in the local density approximation; to correctly describe the band gap of semiconductors. These comments also discuss some recent results [Phys. Rev. B 76; 037101 (2007)] on an extensive hybridization of the In 4d and N 2s bands that is lost when the d electrons are included in the core. Our discussions in these comments indicate that when the two inherently coupled equations of DFT are both solved self-consistently; the resulting bands; including low-lying conduction ones; appear to have much more physics content than previously believed. © 2008 American Institute of Physics;
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