Theoretical studies on the structural, electronic, and optical properties of Ag2HgSnSe4

• Published in: Chinese physics B Vol. 20; no. 12; pp. 305 - 308
• Main Author: 李丹 张幸红
• Format: Journal Article
• Language: English
• Published: IOP Publishing 01.12.2011
• Subjects: 介电函数; 光学性质; 光谱反射率; 吸收系数; 密度泛函理论; 广义梯度近似; 损失函数; 电子结构

We investigate the electronic structure of Ag2HgSnSe4 in a wurtzite-stannite structure with the first principles method. This crystal is a direct band-gap compound. In addition the dielectric function, absorption coefficient, reflectivity, and energy-loss function are studied using the density funct...