AI 中文总结
研究基于第一性原理电子-声子相互作用,通过时域威廉姆斯-拉克斯框架探究固体中退相微观起源,在金属和电介质中有不同表现,发现退相主要由布居动力学而非非对角相干衰减决定。
AI 中文摘要
电子-声子相互作用通过时域威廉姆斯-拉克斯框架,在实时含时密度泛函理论中为固体有效退相提供微观起源。在金属中,类似德鲁德阻尼源于单一无序构型;在电介质中,相同机制产生清晰的高谐波光谱且无需引入超短唯象退相时间。将超胞动力学映射到原胞密度矩阵表明,退相主要由布居动力学(对角元)而非非对角相干的衰减决定。
英文摘要
Electron-phonon interactions provide a microscopic origin of effective dephasing in solids within real -time TDDFT via a time-domain Williams-Lax framework. In metals, Drude -like damping emerges from a single disordered configuration; in dielectrics, the same mechanism yields clean high-harmonic spectra without introducing ultrashort phenomenological dephasing times. Mapping supercell dynamics onto a primitive-cell density matrix reveals that dephasing is governed primarily by population dynamics (diagonal elements) rather than by the decay of off-diagonal coherence.
Comments5 pages plus 2 pages of Supplemental Material