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Electronic structure and x-ray magnetic circular dichroism in YbAgCu4 and YbInCu4

TitleElectronic structure and x-ray magnetic circular dichroism in YbAgCu4 and YbInCu4
Publication TypeJournal Article
Year of Publication2014
AuthorsAntonov, VN, Bekenov, LV, Antropov, VP
JournalPhysical Review B
Volume89
Pagination165110
Date Published04
Type of ArticleArticle
ISBN Number1098-0121
Accession NumberWOS:000334118200001
Keywords4f states, band theory, ce compounds, heavy-fermion behavior, lda+u method, magnetooptical, neutron-scattering, properties, systems, valence phase-transition, yb-valence
Abstract

X-ray absorption and magnetic circular dichroism spectra at the L-3 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 E-2 and magnetic dipole M-1 transitions have been investigated. The calculated results are compared with available experimental data.

DOI10.1103/PhysRevB.89.165110
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Exploratory Theory