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: