Electronic structure, magnetic ordering and X-ray magnetic circular dichroism in La1-xPrxCo2P2 phosphides

Condensed Matter Physics

关键词: strongly correlated systems;    band structure;    magnetic moments;    X-ray magnetic circular dichroism;   

DOI  :  10.5488/CMP.18.33701

来源: DOAJ

【 摘 要 】

The electronic structure and magnetic ordering in La_1-xPr_xCo₂P₂ (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 E₂ and magnetic dipole M₁ transitions have been investigated. Good agreement with experimental measurements has been found.

【 授权许可】

Unknown