论文标题
将LDA-1/2方法扩展到包含III-V半导体的二键类的材料类别
Extension of the LDA-1/2 method to the material class of bismuth containing III-V semiconductors
论文作者
论文摘要
LDA-1/2方法用于IIII-V稀释二抗性系统的电子结构的密度功能理论计算。对于BI浓度低于$ 10 \％$的GA（SBBI）的代表性示例，这表明该方法非常有效地工作，尤其是由于其对计算机存储器的需求相当低。所得的带结构和波形用于计算相互作用矩阵元素，这些矩阵元素是光学特性的显微镜计算的输入，以及与稀养症的光电应用相关的内在损失。
The LDA-1/2 method is employed in density functional theory calculations for the electronic structure of III-V dilute bismide systems. For the representative example of Ga(SbBi) with Bi concentrations below $10 \%$, it is shown that this method works very efficiently, especially due to its reasonably low demand on computer memory. The resulting bandstructure and wavefunctions are used to compute the interaction matrix elements that serve as input to microscopic calculations of the optical properties and intrinsic losses relevant for optoelectronic applications of dilute bismides.
