Accurate band gaps of AlGaN, InGaN, and AlInN alloys calculations based on LDA-1/2 approach

作者：Pela R R^*; Caetano C; Marques M; Ferreira L G; Furthmueller J; Teles L K

来源：Applied Physics Letters, 2011, 98(15): 151907.

DOI：10.1063/1.3576570

We present parameter-free calculations of electronic properties of InGaN, InAlN, and AlGaN alloys. The calculations are based on a generalized quasichemical approach, to account for disorder and composition effects, and first-principles calculations within the density functional theory with the LDA-1/2 approach, to accurately determine the band gaps. We provide precise results for AlGaN, InGaN, and AlInN band gaps for the entire range of compositions, and their respective bowing parameters.

• 出版日期2011-4-11