Effect of Strain on Electronic Structure and Optical Properties of Wurtzite GaN

doi:10.19596/j.cnki.1001-246x.7972

Abstract

Abstract: Effects of strain on electronic structure and optical properties of wurtzite GaN are studied by using generalized gradient approximation (GGA+U) under first-principles density functional theory (DFT). It shows that the bandgap decreases with increase of strain. The decrease of band gap is small as compressive strain is less than 3%. Strain has an effect on dielectric function imaginary part. With increase of strain, static dielectric constant increases and absorption coefficient decreases.

Key words: GaN, strain, electronic structure, optical properties, first-principles

CLC Number:

O471
O472

WEN Shumin, YAO Shiwei, ZHAO Chunwang, WANG Xijun, LI Jijun. Effect of Strain on Electronic Structure and Optical Properties of Wurtzite GaN[J]. CHINESE JOURNAL OF COMPUTATIONAL PHYSICS, 2020, 37(1): 119-126.

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