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arXiv · 1510.06542

Electronic structure, magnetic ordering and X-ray magnetic circular dichroism in La$_{1-x}$Pr$_x$Co$_2$P$_2$ phosphides

L. V. Bekenov·S. V. Moklyak·V. N. Antonov
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Abstract

The electronic structure and magnetic ordering in La$_{1-x}$Pr$_x$Co$_2$P$_2$ ($x=$0, 0.25, and 1) phosphides have been studied theoretically using the fully relativistic spin-polarized Dirac linear muffin-tin orbital (LMTO) band-structure method. The X-ray absorption and X-ray magnetic circular dichroism spectra at the Co$L_{2,3}$ and Pr$M_{4,5}$ edges have been investigated theoretically within the framework of the LSDA+$U$ method. The core-hole effect in the final state as well as the effects of the electric quadrupole $E_2$ and magnetic dipole $M_1$ transitions have been investigated. Good agreement with experimental measurements has been found.

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L. V. Bekenov, S. V. Moklyak, V. N. Antonov. 2015-10-22. Electronic structure, magnetic ordering and X-ray magnetic circular dichroism in La$_{1-x}$Pr$_x$Co$_2$P$_2$ phosphides. https://doi.org/10.5488/cmp.18.33701

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