English

High-temperature self-energy corrections to x-ray absorption spectra

Materials Science 2023-03-29 v2

Abstract

Effects of finite-temperature quasiparticle self-energy corrections to x-ray absorption spectra are investigated within the finite-temperature quasiparticle local density GW approximation up to temperatures TT of order the Fermi temperature. To facilitate the calculations, we parametrize the quasiparticle self-energy using low-order polynomial fits. We show that temperature-driven decrease in the electron lifetime substantially broadens the spectra in the near-edge region with increasing TT. However, the quasiparticle shift is most strongly modified near the onset of plasmon excitations.

Keywords

Cite

@article{arxiv.2208.02390,
  title  = {High-temperature self-energy corrections to x-ray absorption spectra},
  author = {Tun S. Tan and J. J. Kas and S. B. Trickey and J. J. Rehr},
  journal= {arXiv preprint arXiv:2208.02390},
  year   = {2023}
}