One-electron excitations, correlation effects, and the plasmon in cesium metal

Article

关键词: CALCULATED PHOTOEMISSION SPECTRA;    ALKALI-METALS;    BAND-STRUCTURE;    NA;    PSEUDOPOTENTIALS;    DISPERSION;    GAS;    CS;   

DOI  :  10.1103/PhysRevB.55.2068

来源: SCIE

【 摘 要 】

We study the dynamical electronic response of Cs at a first-principles level. The spatially localized 5p semicore shell induces a physical interplay between crystal local fields and electron correlations, leading to a novel, and relatively large, many-body shift of the plasmon energy. This effect, combined with that of one-electron transitions into empty states near the plasmon energy, yields a plasmon dispersion curve which is in excellent agreement with experiment for small wave vectors. In addition, our results feature a flat dispersion for large wave vectors, in qualitative agreement with experiment.

【 授权许可】

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