Comparative study of the electronic structures of SrMO3 (M = Ti, V, Mn, Fe, and Co; M = Zr, Mo, Ru, and Rh) by O 1s x-ray absorption spectroscopy

Abstract

We obtained O 1s x-ray absorption spectra of perovskite SrMO3 (M=Zr, Mo, Ru, and Rh) to investigate general trends of the electronic structures of the partially filled 4d compounds in comparison with 3d ones (M = Ti, V, Mn, Fe, and Co). The parameter values for the crystal electric field, 10Dq, and hybridization strength, V-pd, are estimated from the configuration interaction cluster model calculation with full ionic multiplets (CICM), showing a systematic change with the increase of the d electron number. The calculated spectra of the 4d compounds from the CICM show good agreement with the measured spectra in the t(2g) region, but give a considerable deviation in the e(g) region, implying orbitally dependent correlation effects.