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Relativistic many-body XMCD theory including core degenerate effects

Takashi Fujikawa 2009 J. Phys.: Conf. Ser. 190 012014 (12pp)   doi: 10.1088/1742-6596/190/1/012014  Help

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Takashi Fujikawa
Graduate School of Advanced Integration of Science, Chiba University, Inage, Chiba 263–8522, JAPAN
E-mail: tfujikawa@faculty.chiba-u.jp

Abstract. A many-body relativistic theory to analyze X-ray Magnetic Circular Dichroism (XMCD) spectra has been developed on the basis of relativistic quantum electrodynamic (QED) Keldysh Green's function approach. This theoretical framework enables us to handle relativistic many-body effects in terms of correlated nonrelativistic Green's function and relativistic correction operator Q, which naturally incorporates radiation field screening and other optical field effects in addition to electron-electron interactions. The former can describe the intensity ratio of L2/L3 which deviates from the statistical weight (branching ratio) 1/2.

In addition to these effects, we consider the degenerate or nearly degenerate effects of core levels from which photoelectrons are excited. In XPS spectra, for example in Rh 3d sub level excitations, their peak shapes are quite different: This interesting behavior is explained by core-hole moving after the core excitation. We discuss similar problems in X-ray absorption spectra in particular excitation from deep 2p sub levels which are degenerate in each sub levels and nearly degenerate to each other in light elements: The hole left behind is not frozen there. We derive practical multiple scattering formulas which incorporate all those effects.

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