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arXiv 1807.08508cond-mat.mtrl-sci
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角分辨光电子能谱中等离子体和声子伴体的多体累积展开计算

Many-body calculations of plasmon and phonon satellites in angle-resolved photoelectron spectra using the cumulant expansion approach

Fabio Caruso, Carla Verdi, Feliciano Giustino

摘要:

电子与晶格振动(声子)和集体电荷密度波动(等离子体激元)的相互作用深刻地影响了光电子能谱实验所揭示的固体光谱特性。例如,光电发射卫星是量子涌现行为的一个典型例子,它可能是由电子态与等离子体激元和声子的强耦合引起的。这些光谱特征的存在已经在跨越几个数量级(从50 meV到15-20 eV)的能量尺度上得到了验证,并且适用于广泛的化合物,如简单金属,半导体和高掺杂氧化物。在过去的几年中,累积量展开方法,随着GW近似和固体中的电子-声子和电子-等离子体激元耦合理论,已经发展成为一种预测和定量准确的方法,用于完全从第一原理描述电子-玻色子耦合的光谱特征,因此它已成为描述这些现象的最先进的理论工具。在这一章中,我们将介绍解释光电子谱中的等离子体和声子卫星所需的基本概念,并回顾了使用累积展开方法对这些特征进行第一性原理计算的最新进展。

英文摘要:

The interaction of electrons with crystal lattice vibrations (phonons) and collective charge-density fluctuations (plasmons) influences profoundly the spectral properties of solids revealed by photoemission spectroscopy experiments. Photoemission satellites, for instance, are a prototypical example of quantum emergent behavior that may result from the strong coupling of electronic states to plasmons and phonons. The existence of these spectral features has been verified over energy scales spanning several orders of magnitude (from 50 meV to 15-20 eV) and for a broad class of compounds such as simple metals, semiconductors, and highly-doped oxides. During the past few years the cumulant expansion approach, alongside with the GW approximation and the theory of electron-phonon and electron-plasmon coupling in solids, has evolved into a predictive and quantitatively accurate approach for the description of the spectral signatures of electron-boson coupling entirely from first principles, and it has thus become the state-of-the-art theoretical tool for the description of these phenomena. In this chapter we introduce the fundamental concepts needed to interpret plasmon and phonon satellites in photoelectron spectra, and we review recent progress on first-principles calculations of these features using the cumulant expansion method.

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。

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