论文标题
计算与Si的稀-N Gapasn晶格的光学响应函数
Calculation of Optical Response Functions of Dilute-N GaPAsN Lattice-matched to Si
论文作者
论文摘要
稀-N Gapasn合金具有与SI的光电子晶格匹配的巨大潜力。但是，缺乏对这些合金的光学响应的系统计算。本文使用SP^3D^5S^*S_N紧密结合模型来计算稀释n Gapasn的成率电子结构，然后计算出考虑电偶极子近似中直接过渡的光学响应函数。与稀氮化物可用的光学数据相比，介电函数获得了良好的一致性。为了实现这一目标，与已发布的数据相比，GAP和GAA的SP^3D^5S^*参数优化了它们的光学特性，然后将其用作稀释的N GAPN和GAASN的SP^3D^5S^* S_N参数的基础。价带和新形成的稀氮化物的最低传导带之间计算出的吸收，随着N分数的增加，与实验一致，这主要是由于当前工作中计算出的动量Matrix元素支持了整个Brillouin区域中其耦合的净增加。
Dilute-N GaPAsN alloys have great potential for optoelectronics lattice-matched to Si. However, there is a lack of systematic calculation of the optical response of these alloys. The present paper uses the sp^3d^5s^*s_N tight-binding model to calculate the fullband electronic structure of dilute-N GaPAsN, and then calculate the optical response functions considering direct transitions within the electric dipole approximation. Good agreement is obtained for the dielectric function in comparison to available optical data for dilute nitrides. To achieve this, the sp^3d^5s^* parameters for GaP and GaAs are optimized for their optical properties in comparison to published data, which are then used as the basis for the sp^3d^5s^*s_N parameters for dilute-N GaPN and GaAsN. The calculated absorption between the valence band and the newly formed lowest conduction band of the dilute nitrides increases as the N fraction increases, in agreement with experiments, mainly due to the net increase in their coupling in the entire Brillouin zone, supported by the calculated momentum matrix element in the present work.
