Angular Dependence of X-ray Absorption Spectrum for Field-aligned Fe-based Superconductors

TL;DR

This study investigates the angular dependence of X-ray absorption spectra in field-aligned Fe-based superconductors, revealing anisotropic electronic structures and orbital hybridizations that align with theoretical calculations.

Contribution

It provides new insights into the anisotropic electronic structure and orbital hybridization in Fe-based superconductors through detailed XANES measurements and analysis.

Findings

Larger density of states along the c-axis in Fe K-edge spectra.

Chemical shift of Fe K-edge spectra indicates itinerant Fe 3d orbitals.

Mirror image anisotropy observed in As K-edge spectra due to hybridization.

Abstract

Anisotropic Fe K-edge and As K-edge X-ray absorption near edge spectrum (XANES) measurements on superconducting (T_c = 52 K) (Sm_{0.95}La_{0.05})FeAs(O_{0.85}F_{0.15}) field-aligned microcrystalline powder are presented. The angular dependence of Fe pre-edge peak (dipole transition of Fe-1s electrons to Fe-3d/As-4p hybrid bands) relative to the tetragonal ab-plane of aligned powder indicates larger density of state (DOS) along the c-axis, and is consistent with the LDA band structure calculation. The anisotropic Fe K-edge spectra exhibit a chemical shift to lower energy compared to FeO which are closely related to the itinerant character of Fe^{2+}-3d^6 orbitals. The anisotropic As K-edge spectra are more or less the mirror images of Fe K-edge due to the symmetrical Fe-As hybridiztion in the FeAs layer. Angular dependence of As main peak (dipole transition of As-1s electrons to higher energy hybrid bands) was observed suggesting character of As-4d e_g orbitals.