Theory of X-ray photoemission and X-ray emission spectra in Mn compounds

We analyze theoretically X-ray photoemission spectra (XPS) from Mn 2p and 3p core-levels in Mn compounds and Mn K beta X-ray emission spectra (XES) by means of an MX(6) cluster model. In the calculation of 3p-XPS and K beta-XES, we take into account the effect of the term-dependent lifetime of the Mn 3p core-hole due to the 3p-3d3d super-Coster-Kroning decay The KP-XES is treated as a coherent second-order optical process, and the excitation spectra of KP-XES, which reflect the spin-dependent Mn Is absorption, are also calculated. It is shown that the effect of the core-hole potential plays an essential role in the excitation spectra of MnF2 and MnO. The importance of the term-dependent. lifetime of the final states is also pointed out.