时间分辨光电子能谱中相干声子的光生及特征：第一性原理含时绝热GW方法
Photogeneration and signatures of coherent phonons in time-resolved photoemission spectroscopy: First-principles time-dependent adiabatic GW approach
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中文总结 AI 辅助
该研究利用含时绝热GW方法模拟单层MoS₂中相干声子光生及对TR-ARPES的影响，通过分析相干声子调制获取态分辨e-ph耦合强度，识别相关机制特征并阐明其规则，为分析相干声子动力学及调控能带结构提供支持。
中文摘要 AI 辅助
在泵浦-探测时间分辨和角分辨光电子能谱（TR-ARPES）中，相干晶格动力学可表现为光电子强度和能量在探测时间上的周期性调制。我们提出一种包含电子-声子（e-ph）耦合的从头算含时GW方法，用于模拟单层MoS₂中相干声子的光生及其对TR-ARPES的影响。通过分析TR-ARPES上的相干声子调制，可获得态分辨的e-ph耦合强度。模拟中识别出了相干声子产生的脉冲受激拉曼散射机制和位移激发机制的特征，阐明了它们的起源以及相干声子产生和拉曼散射强度的重合选择规则。该方法为分析TR-ARPES中的相干声子动力学和e-ph耦合提供了支持，并能通过相干声子对能带结构进行定量调控。
英文摘要
Coherent lattice dynamics can be observed in pump-probe time-resolved and angle-resolved photoemission spectroscopy (TR-ARPES) as a periodic modulation of intensity and energy of photoelectrons over probe time. We present an ab initio time-dependent GW approach including electron-phonon (e-ph) couplings to simulate the photogeneration of coherent phonons and their effects on the TR-ARPES of monolayer MoS2. We demonstrate that state-resolved e-ph coupling strength can be obtained from analyzing coherent phonon modulations on TR-ARPES. Features of both the impulsive stimulated Raman scattering mechanism and the displacive excitation mechanism of coherent phonon generation are identified in our simulations. We clarify their origins and the coincident selection rule of coherent phonon generation and Raman scattering intensity. This method provides supports to analyze coherent phonon dynamics and e-ph couplings in TR-ARPES and enables quantitative engineering of band structure through coherent phonons.
