利用阿秒瞬态吸收光谱探测宽禁带材料中强场电子-空穴动力学模拟
Simulating strong-field electron-hole dynamics in solids probed by attosecond transient absorption spectroscopy
AI总结：
本文利用半导体布洛赫方程和时间依赖密度泛函理论研究宽禁带材料中电子动力学，通过阿秒极紫外探测脉冲预测瞬态吸收光谱信号，验证了基于布洛赫方程的模型。
摘要：
我们研究了一种宽禁带材料的超快电子动力学，该材料在强泵浦脉冲激发下具有内带、价带和导带，通过延迟的阿秒极紫外探测脉冲进行监测。采用半导体布洛赫方程（SBEs）和时间依赖密度泛函理论（TDDFT）进行互补计算和比较。TDDFT用于研究有限大小系统，而SBEs用于研究具有周期边界条件的固体，计算晶体动量依赖的能量带和能带间耦合，采用平行运输结构规范。由此得到的强场电子动力学用于预测阿秒瞬态吸收光谱（ATAS）信号，作为探测脉冲频率和泵浦-探测脉冲间隔函数的函数。两种模拟协议都捕捉到ATAS信号中的时间延迟依赖的光谱特征。我们的TDDFT和SBE基于结果之间的非常良好的一致性使我们能够将原生TDDFT模拟解释为SBEs的能带间耦合，验证了我们的SBE基于模型并支持其结论。
英文摘要：
We investigate the ultrafast electron dynamics of a model of a wide-bandgap material with inner, valence, and conduction bands excited by an intense few-femtosecond pump and monitored by a delayed attosecond extreme-ultraviolet probe pulse. Complementary computational methods are utilized and compared, based on the semiconductor Bloch equations (SBEs) and time-dependent density functional theory (TDDFT). TDDFT is employed to study a finite-size system, while the SBEs are utilized to investigate the corresponding solid with periodic boundary conditions imposed, with the crystal-momentum-dependent energy bands and interband couplings calculated in the parallel-transport structure gauge. The resulting strong-field electron dynamics are employed to predict experimentally accessible attosecond transient absorption spectroscopy (ATAS) signals as a function of the probe-pulse frequency and pump-probe interpulse delay. Both simulation protocols similarly capture the time-delay-dependent spectral features in the ATAS signals. The very good agreement between our TDDFT and SBE-based results allows us to interpret the ab-initio TDDFT simulations in terms of SBEs' interband couplings, validating our SBE-based model and corroborating its conclusions.
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