碲的非相干共振和相干非共振光学响应的微观理论
Microscopic Theory for the Incoherent Resonant and Coherent Off-Resonant Optical Response of Tellurium
摘要：
采用基于$\it{ab \,\, initio}$的全微观方法研究了体碲的非线性光学响应。在密度泛函理论中，使用shLDA-1/2方法从第一性原理计算结构和电子性质。由此产生的能带结构和偶极矩阵元素作为输入的各向异性线性光学吸收光谱的量子力学评价产生的结果与发表的实验数据非常一致。假设准平衡载流子分布在导带和价带，吸收/增益和自发发射光谱计算从半导体布洛赫和发光方程。对于超快强非共振激发，高次谐波的产生进行了评估，并计算了不同厚度的样品的发射光谱。
英文摘要：
An $\it{ab \,\, initio}$ based fully microscopic approach is applied to study the nonlinear optical response of bulk Tellurium. The structural and electronic properties are calculated from first principles using the shLDA-1/2 method within density functional theory. The resulting bandstructure and dipole matrix elements serve as input for the quantum mechanical evaluation of the anisotropic linear optical absorption spectra yielding results in excellent agreement with published experimental data. Assuming quasi-equilibrium carrier distributions in the conduction and valence bands, absorption/gain and spontaneous emission spectra are computed from the semiconductor Bloch and luminescence equations. For ultrafast intense off-resonant excitation, the generation of high-harmonics is evaluated and the emission spectra are calculated for samples of different thickness.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
