Condensed Matter Physics, 2012, vol. 15, No. 4, p. 43701:1-10
DOI:10.5488/CMP.15.43701           arXiv:1207.2744

Title: Exact solution of a variety of X-ray probes in the Falicov-Kimball model with dynamical mean-field theory
  A.M. Shvaika (Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine, 1 Svientsitskii St., 79011 Lviv, Ukraine),
  J.K. Freericks (Department of Physics, Georgetown University, 37th and O Sts. NW, Washington, DC 20057, USA)

We examine the core-level X-ray photoemission spectroscopy (XPS), X-ray absorption near-edge spectroscopy (XANES) and X-ray emission spectroscopy (XES) in the Falicov-Kimball model by using the exact solution from dynamical mean-field theory. XPS measures the core-hole propagator, XANES measures the absorption of X-rays when the core electron is excited to an unoccupied electronic state of the solid and is not emitted, and XES measures the spectra of light emitted as electrons fill the core-hole state created via some form of X-ray excitation. These three spectra are closely related to one another and display orthogonality catastrophe behavior at T=0. We show an efficient way of evaluating these spectra at finite temperature, with a primary focus on the details of XANES.

Key words: X-ray photoemission spectroscopy (XPS), X-ray absorption near-edge spectroscopy (XANES), dynamical mean-field theory, Falicov-Kimball model
PACS: 71.10.-w, 71.27.+a, 71.30.+h, 02.30.Rz

Full text [pdf, ps] << List of papers