电子-等离子体激元耦合的光谱指纹
Spectral Fingerprints of Electron-Plasmon Coupling
摘要：
我们研究了电子-等离子体激元耦合在集成（PES）和角度分辨光电子能谱（ARPES）中的光谱指纹。为了以降低的计算成本来考虑电子-等离子体相互作用，我们推导了等离子体极化子模型，这是一种基于多体微扰理论的累积展开的方法，该方法规避了GW自能的计算。通过等离子体极化子模型，我们预测了完整的光谱函数和电子-等离子体耦合的影响，硅，锗，砷化镓和金刚石。Si、Ge和GaAs表现出良好限定的等离子体激元极化子能带结构，即，价带的加宽复制品被等离子体激元能量红移。基于这些结果，（i）我们将硅等离子体卫星的结构（如PES实验所揭示的）分配给在L、$Ω$和X高对称点处发生的等离子体范霍夫奇异性，以及（ii）我们预测了Si、Ge、GaAs和金刚石的电子-等离子体激元耦合的ARPES特征。总的来说，等离子体极化子带的概念作为一种新的范式出现，用于解释凝聚态物质中的电子过程，这里提出的理论方法提供了一种计算负担得起的工具，以探索其在广泛的材料中的作用。
英文摘要：
We investigate the spectroscopic fingerprints of electron-plasmon coupling in integrated (PES) and angle-resolved photoemission spectroscopy (ARPES). To account for electron-plasmon interactions at a reduced computational cost, we derived the plasmonic polaron model, an approach based on the cumulant expansion of many-body perturbation theory that circumvents the calculation of the GW self-energy. Through the plasmonic polaron model, we predict the complete spectral functions and the effects of electron-plasmon coupling for Si, Ge, GaAs, and diamond. Si, Ge, and GaAs exhibit well-defined plasmonic polaron band structures, i.e., broadened replica of the valence bands redshifted by the plasmon energy. Based on these results, (i) we assign the structures of the plasmon satellite of silicon (as revealed by PES experiments) to plasmonic Van Hove singularities occurring at the L, $Ω$, and X high-symmetry points and (ii) we predict the ARPES signatures of electron-plasmon coupling for Si, Ge, GaAs, and diamond. Overall, the concept of plasmonic polaron bands emerges as a new paradigm for the interpretation of electronic processes in condensed matter, and the theoretical approach presented here provides a computationally affordable tool to explore its effect in a broad set of materials.
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