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

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.

Authors:
; ;
Publication Date:
Sponsoring Org.:
USDOE Advanced Research Projects Agency - Energy (ARPA-E)
OSTI Identifier:
1211388
DOE Contract Number:
0472-1526
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Review. B, Condensed Matter and Materials Physics; Journal Volume: 89; Journal Issue: 16
Country of Publication:
United States
Language:
English

Citation Formats

Antonov, VN, Bekenov, LV, and Antropov, VP. Electronic structure and x-ray magnetic circular dichroism in YbAgCu4 and YbInCu4. United States: N. p., 2014. Web. doi:10.1103/PhysRevB.89.165110.
Antonov, VN, Bekenov, LV, & Antropov, VP. Electronic structure and x-ray magnetic circular dichroism in YbAgCu4 and YbInCu4. United States. doi:10.1103/PhysRevB.89.165110.
Antonov, VN, Bekenov, LV, and Antropov, VP. Tue . "Electronic structure and x-ray magnetic circular dichroism in YbAgCu4 and YbInCu4". United States. doi:10.1103/PhysRevB.89.165110.
@article{osti_1211388,
title = {Electronic structure and x-ray magnetic circular dichroism in YbAgCu4 and YbInCu4},
author = {Antonov, VN and Bekenov, LV and Antropov, VP},
abstractNote = {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.},
doi = {10.1103/PhysRevB.89.165110},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 16,
volume = 89,
place = {United States},
year = {Tue Apr 08 00:00:00 EDT 2014},
month = {Tue Apr 08 00:00:00 EDT 2014}
}
  • No abstract prepared.
  • 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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  • The electronic structure and x-ray magnetic circular dichroism (XMCD) in XPt{sub 3}(X= V, Cr, Mn, Fe, Co, Ni) and X{sub 3}Pt(X= Fe, Co, Ni) compounds are investigated theoretically from first principles, using the fully relativistic Dirac LMTO band structure method. The electronic structure is obtained with the local spin-density approximation (LSDA). Theoretically calculated spin and orbital magnetic moments are found to be in good agreement with neutron and XMCD experimental data. An interpretation for systematic trends seen in the orbital and spin magnetic moments of the series XPt{sub 3} is presented by analyzing the calculated spin- and orbital-projected density ofmore » d states. The important role of hybridization between the 3d transition metal and Pt d states in the formation of the orbital magnetic moments at the Pt site is emphasized. The x-ray absorption spectra as well as the x-ray circular magnetic dichroism at the K, L{sub 2,3}, and M{sub 2,3} edges for transition metal sites and L{sub 2,3}, M{sub 2,3}, M{sub 4,5}, N{sub 2,3}, N{sub 4,5}, N{sub 6,7}, and O{sub 2,3} edges for Pt sites are calculated for all nine compounds. Good agreement between theory and the experiment is obtained. The XMCD sum rules are used to compute the spin and orbital magnetic moments and the results are compared to the direct calculations.« less
  • Low-thickness La{sub 0.66}Sr{sub 0.34}MnO{sub 3} (LSMO)/BiFeO{sub 3} (BFO) thin film samples deposited on SrTiO{sub 3} were imaged by high resolution x-ray microscopy at different temperatures. The ultra-thin thickness of the top layer allows to image both the ferromagnetic domain structure of LSMO and the multiferroic domain structure of the buried BFO layer, opening a path to a direct observation of coupling at the interface on a microscopic level. By comparing the domain size and structure of the BFO and LSMO, we observed that, in contrast to LSMO single layers, LSMO/BFO multilayers show a strong temperature dependence of the ferromagnetic domainmore » structure of the LSMO. Particularly, at 40 K, a similar domain size for BFO and LSMO is observed. This indicates a persistence of exchange coupling on the microscopic scale at a temperature, where the exchange bias as determined by magnetometer measurements is vanishing.« less