论文标题

非poloralon的光谱特征:钻石的情况

Spectroscopic signatures of nonpolarons : the case of diamond

论文作者

de Abreu, Joao C., Nery, Jean Paul, Giantomassi, Matteo, Gonze, Xavier, Verstraete, Matthieu J.

论文摘要

极性子是由与晶体晶格中振动相互作用的电子制成的准颗粒。它们从离子系统中强的电子振动极性相互作用中得出了名称,这些相互作用诱导了这些材料中此类准粒子的相关光谱和光学特征。在本文中,我们专注于钻石,钻石是一种具有反转对称性的非极性晶体,尽管如此,它仍显示出极性的特征性特征,在这种情况下,更好地表示“非极性”。二极管效应是由短距离晶体场产生的,只有远程四极的影响很小。多体光谱函数具有特征性的能量依赖性,显示出与极性fröhlich情况下观察到的卫星相似但与众不同的平稳结构。钻石的温度依赖性光谱功能由两种方法确定:标准的dyson-migdal方法,该方法计算自我能源最低阶膨胀内的电子 - phonon相互作用,以及累积膨胀,其中包括更高的电子 - phonon相互作用。后者纠正了非极性能量并扩展,提供了更现实的光谱函数,我们对传导和价带边缘进行了详细检查。

Polarons are quasi-particles made from electrons interacting with vibrations in crystal lattices. They derive their name from the strong electron-vibration polar interaction in ionic systems, that induces associated spectroscopic and optical signatures of such quasi-particles in these materials. In this paper, we focus on diamond, a non-polar crystal with inversion symmetry which nevertheless shows characteristic signatures of polarons, better denoted "nonpolarons" in this case. The polaronic effects are produced by short-range crystal fields with only a small influence of long-range quadrupoles. The many-body spectral function has a characteristic energy dependence, showing a plateau structure that is similar to but distinct from the satellites observed in the polar Fröhlich case. The temperature-dependent spectral function of diamond is determined by two methods: the standard Dyson-Migdal approach, which calculates electron-phonon interactions within the lowest-order expansion of the self-energy, and the cumulant expansion, which includes higher orders of electron-phonon interactions. The latter corrects the nonpolaron energies and broadening, providing a more realistic spectral function, which we examine in detail for both conduction and valence band edges.

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