Real-space Green's function approach for x-ray spectra at finite temperature
Abstract
There has been considerable interest in properties of condensed matter at finite temperature, including non-equilibrium behavior and extreme conditions up to the warm dense matter regime. Such behavior is encountered, e.g., in experimental time resolved x-ray absorption spectroscopy (XAS) in the presence of intense laser fields. In an effort to simulate such behavior, we present an approach for calculations of finite-temperature x-ray absorption spectra in arbitrary materials, using a generalization of the real-space Green's function formalism. The method is incorporated as an option in the core-level x-ray spectroscopy code FEFF10. To illustrate the approach, we present calculations for several materials together with comparisons to experiment and with other methods.
Cite
@article{arxiv.2103.07546,
title = {Real-space Green's function approach for x-ray spectra at finite temperature},
author = {Tun S. Tan and J. J. Kas and J. J. Rehr},
journal= {arXiv preprint arXiv:2103.07546},
year = {2021}
}