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Measurement of f orbital hybridization in rare earths through electric dipole-octupole interference in x-ray absorption spectroscopy
DOI:
10.1103/PhysRevMaterials.3.120801
Authors:
Amélie
Juhin
(Sorbonne Université, UMR CNRS 7590, Université Pierre et Marie Curie)
,
Stephen P.
Collins
(Diamond Light Source)
,
Yves
Joly
(Université Grenoble Alpes, CNRS, Grenoble INP, Institut Néel)
,
Maria
Diaz-Lopez
(ISIS Facility; Diamond Light Source; Université Grenoble Alpes, CNRS, Grenoble INP, Institut Néel)
,
Kristina
Kvashnina
(European Synchrotron Radiation Facility; Helmholtz Zentrum Dresden-Rossendorf (HZDR))
,
Pieter
Glatzel
(European Synchrotron Radiation Facility)
,
Christian
Brouder
(Sorbonne Université, UMR CNRS 7590, Université Pierre et Marie Curie)
,
Frank
De Groot
(Utrecht University)
Co-authored by industrial partner:
No
Type:
Journal Paper
Journal:
Physical Review Materials
, VOL 3
State:
Published (Approved)
Published:
December 2019
Abstract: This work provides a direct route to measure the degree of hybridization of f states in rare earths. The interference between electric dipole and octupole transitions is measured at the L 1 edge of Gd in Gd 3 Ga 5 O 12 using x-ray natural linear dichroism (XNLD) and high energy resolution fluorescence detection. The Gd 4 f − 6 p admixture is quantified through the integral of the dipole-octupole XNLD using a sum rule easily applicable to experimental data. The mixing of the Gd valence states with the O ligand orbitals, calculated from first principles, reveals that despite their localized character, the Gd 4 f orbitals mix with the O 2 p and 2 s orbitals with an antibonding and bonding character, respectively.
Journal Keywords: Electronic structure; Physical Systems; Rare-earth alloys
Diamond Keywords: Alloys
Subject Areas:
Physics,
Materials
Facility: ID26 at ESRF
Added On:
27/10/2020 12:23
Discipline Tags:
Physics
Hard condensed matter - structures
Materials Science
Metallurgy
Technical Tags: