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Measurement of f orbital hybridization in rare earths through electric dipole-octupole interference in X-ray Absorption SpectroscopyJuhin, A.; Collins, S. P.; Joly, Y.; Diaz-Lopez, M.; Kvashnina, K.ORC; Glatzel, P.; Brouder, C.; de Groot, F.
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 L1 edge of Gd in Gd3Ga5O12 using X-ray Natural Linear Dichroism (XNLD) and high energy resolution fluorescence detection. The Gd 4f-6p admixture is quantiffed through the integral of the dipole-octupole XNLD using a new 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 4f orbitals mix with the O 2p and 2s orbitals with an antibonding and bonding character, respectively.
Physical Review Materials 3(2019), 120801(R)
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