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Theory of X-Ray Photoemission and X-Ray Emission Spectra in Mn Compounds

1997; Physical Society of Japan; Volume: 66; Issue: 1 Linguagem: Inglês

10.1143/jpsj.66.247

1347-4073

M. Taguchi, Takayuki Uozumi, Akio Kotani,

Advanced Chemical Physics Studies

We analyze theoretically X-ray photoemission spectra (XPS) from Mn 2 p and 3 p core-levels in Mn compounds and Mn Kβ X-ray emission spectra (XES) by means of an MX 6 cluster model. In the calculation of 3 p -XPS and Kβ-XES, we take into account the effect of the term-dependent lifetime of the Mn 3 p core-hole due to the 3 p -3 d 3 d super-Coster-Kroning decay. The Kβ-XES is treated as a coherent second-order optical process, and the excitation spectra of Kβ-XES, which reflect the spin-dependent Mn 1 s absorption, are also calculated. It is shown that the effect of the core-hole potential plays an essential role in the excitation spectra of MnF 2 and MnO. The importance of the term-dependent lifetime of the final states is also pointed out.