Afonso, J. F., Sotnikov, A., Hariki, A., & Kuneš, J. (2019). Pressure-induced spin-state ordering in Sr₂CoO₃ F. Physical Review B, 99, Article 205118. https://doi.org/10.1103/PhysRevB.99.205118
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.
