Abstract

We studied the electronic structure of Sr2FeMoO6 using core level and valence band photoemission.

Highlights

  • The Sr2FeMoO6 (SFMO) double perovskite presents very interesting physical properties.[1,2] The crystal structure of this compound is tetragonal with a 1⁄4 5.557 Aand c 1⁄4 7.887 A

  • The experimental spectrum is composed of Fe 3d–O 2p–Mo 4d mixed states close to the Fermi level, nonbonding and bonding O 2p band from 9 to 4 eV, and the Fe 3d charge transfer satellites from 15 to 9 eV

  • The first feature around 1 eV is attributed to Fe 3d–O 2p–Mo 4d mixed states, while the bottom of the valence band is dominated by charge transfer satellites related to the Fe 3d states

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Summary

Introduction

The Sr2FeMoO6 (SFMO) double perovskite presents very interesting physical properties.[1,2] The crystal structure of this compound is tetragonal with a 1⁄4 5.557 Aand c 1⁄4 7.887 A This material is a half-metallic ferrimagnet with an ordering temperature of TC 1⁄4 420 K. We studied the electronic structure of SFMO using a cluster model approach,[16,17,18,19] which consists of two FeO6 and MoO6 octahedra which are either connected (double cluster model) or not (single cluster model) by one corner O atom This method includes both the Fe 3d–O 2p and Mo 4d–O 2p hybridization, as well as the Mo–O–Fe charge uctuations in the FeO6–MoO6 double cluster. The experimental spectra were obtained using bulk sensitive high-energy X-rays

Experimental details
Calculation details
Ground state properties
Fe 2p core level spectroscopy
Mo 3p core level spectroscopy
Valence band spectroscopy
Summary and conclusions
Full Text
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