Valence-state transition in SrMn1-xMoxO3 (0 <= x <= 0.5) investigated by soft x-ray absorption spectroscopy

Abstract

The electronic structures of perovskite SrMn1-xMoxO3 (0 <= x <= 0.5) have been investigated by employing soft x-ray absorption spectroscopy (XAS). Mn 2p XAS shows the systematic change in the valence states of Mn ions in SrMn1-xMoxO3 due to the substitution of hexavalent Mo6+(4d(0)) ions. With increasing x, the valence states and the spin configurations of Mn ions change from high-spin (HS) Mn4+ for x=0, to HS Mn3+(t(2g)(3)up arrow e(g)(1)up arrow) for x=0.3, and HS Mn2+(t(2g)(3)up arrow e(g)(2)up arrow) for x=0.5. The measured Mn 2p XAS spectra are described well with the configuration interaction (CI) cluster model, including the Jahn-Teller distortion effect for Mn3+ ions. The combination of the findings of Mn 2p XAS and the CI calculations provides the complete picture of the electronic structures of SrMn1-xMoxO3 for 0 <= x <= 0.5.