Effects of electronic correlation on X-Ray absorption and dichroic spectra at L edge
arXiv:1010.4397 · doi:10.1088/0953-8984/23/21/215601
Abstract
We present a new theoretical approach to describe X-Ray absorption and Magnetic Circular Dichroism spectra in the presence of e-e correlation. Our approach provides an unified picture to include correlations in both charged and neutral excitations, namely in direct / inversion photoemission where electrons are removed/added, and photo absorption where electrons are promoted from core levels to empty states. We apply this approach to the prototypical case of L edge of 3 transition metals and we show that the inclusion of many body effects in the core level excitations is essential to reproduce, together with satellite structures in core level photoemission, the observed asymmetric line shapes in X-ray absorption and dichroic spectra.
3 figures, 5 pages, submitted to Phys. Rev. B
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- First-principles calculation of x-ray dichroic spectra within the full-potential linearized augmented planewave method: An implementation into the Wien2k code
- Finite lifetime broadening of calculated x-ray absorption spectra: possible artefacts close to the edge
- Review on low and high mass spectroscopy