AI 中文总结
本研究推导含非谐三声子相互作用的电子-声子耦合散射率表达式，实现其第一性原理计算方法，明确有限声子寿命对电子-声子耦合评估的重要性，为相关研究提供平台。
AI 中文摘要
数十年来，电子-声子耦合一直是凝聚态物理的核心课题，第一性原理方法已在定量描述其在各类物理现象与材料中的作用方面取得显著成功。传统电子-声子耦合计算通常假设声子具有无限寿命，但由于非谐声子-声子相互作用，声子可呈现有限寿命。本研究推导了包含非谐三声子相互作用效应的电子-声子耦合散射率表达式，该相互作用会导致声子退相并产生有限声子寿命；还描述了该非谐电子-声子耦合的第一性原理实现方法，可无缝集成到现有电子-声子与声子-声子耦合相互作用评估的工作流程中。最后，我们计算了一系列材料中包含声子退相的电子-声子散射率，并讨论非谐声子影响电子-声子耦合的不同微观机制。本研究确立了有限声子寿命在电子-声子耦合评估中的重要性，为在各类材料与现象中探索这些效应提供了平台。
英文摘要
Electron-phonon coupling has been a central topic in condensed matter physics for decades, and firstprinciples methods have demonstrated remarkable success in quantitatively capturing its role in a wide variety of physical phenomena and materials. Conventional calculations of electron-phonon coupling typically assume that phonons have infinite lifetimes, but phonons can exhibit finite lifetimes due to anharmonic phonon-phonon interactions. In this work, we derive an expression for the electron-phonon coupling scattering rates including the effects of anharmonic three-phonon interactions, which lead to phonon dephasing and finite phonon lifetimes. We also describe a first-principles implementation of this anharmonic electron-phonon coupling which can be seamlessly integrated within existing workflows for the evaluation of electron-phonon and phonon-phonon coupling interactions. Finally, we present calculations of electron-phonon scattering rates including phonon dephasing in a range of materials, and discuss the different microscopic mechanisms by which anharmonic phonons influence electron-phonon coupling. This study establishes the importance of finite phonon lifetimes in the evaluation of electron-phonon coupling, and provides a platform to explore these effects in a wide range of materials and phenomena.
Journal refPhys. Rev. B 114, 084303 (2026)
