Pressure-induced spin-state ordering in Sr2CoO3F

Abstract

We study theoretically low-temperature phases of a recently synthesized compound Sr2CoO3F under pressure. The analysis combining LDA+DMFT and a strong-coupling effective model points to the existence of not only normal paramagnetic and antiferromagnetic regimes, but also a spin-state ordered phase in a certain range of applied pressure and low temperature. This order is characterized by a checkerboard arrangement of different spin states of cobalt atoms in the lattice.

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