Spin-orbit induced mixed-spin ground state in RRNiO3_3 perovskites probed by XAS: new insight into the metal to insulator transition

preprint2004arXivOpen access

Abstract

We report on a Ni L2,3_{2,3} edges x-ray absorption spectroscopy (XAS) study in RRNiO3_3 perovskites. These compounds exhibit a metal to insulator (MIMI) transition as temperature decreases. The L3_{3} edge presents a clear splitting in the insulating state, associated to a less hybridized ground state. Using charge transfer multiplet calculations, we establish the importance of the crystal field and 3d spin-orbit coupling to create a mixed-spin ground state. We explain the MIMI transition in RRNiO3_3 perovskites in terms of modifications in the Ni3+^{3+} crystal field splitting that induces a spin transition from an essentially low-spin (LS) to a mixed-spin state.

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