Electronic structure and x-ray magnetic circular dichroism in YbAgCu4 and YbInCu4
X-ray absorption and magnetic circular dichroism spectra at the L3 edge of Yb have been studied theoretically in the mixed-valent compounds YbAgCu4 and YbInCu4 using the fully relativistic Dirac linear muffin-tin orbital band structure method. The effect of the spin-orbit (SO) interaction and Coulom...
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Veröffentlicht in: | Physical review. B, Condensed matter and materials physics Condensed matter and materials physics, 2014-04, Vol.89 (16) |
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Hauptverfasser: | , , |
Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | X-ray absorption and magnetic circular dichroism spectra at the L3 edge of Yb have been studied theoretically in the mixed-valent compounds YbAgCu4 and YbInCu4 using the fully relativistic Dirac linear muffin-tin orbital band structure method. The effect of the spin-orbit (SO) interaction and Coulomb repulsion U on the electronic structure of YbAgCu4 and YbInCu4 is examined in the frame of the local spin-density approximation (LSDA)+SO+U method. The core-hole effect in the final states as well as the effect of the electric quadrupole E2 and magnetic dipole M1 transitions have been investigated. The calculated results are compared with available experimental data. |
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ISSN: | 1098-0121 1550-235X |
DOI: | 10.1103/PhysRevB.89.165110 |