Regensburg 2019 – wissenschaftliches Programm

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TT: Fachverband Tiefe Temperaturen

TT 2: Correlated Electrons: Electronic Structure Calculations and Other Theoretical Topics

TT 2.1: Vortrag

Montag, 1. April 2019, 09:30–09:45, H7

Pressure-induced spin-state ordering in Sr₂CoO₃F — •Juan Fernandez Afonso, Andrii Sotnikov, Atsushi Hariki, and Jan Kunes — Institute of Solid State Physics, TU Wien, Wien, Austria

Sr₂CoO₃F is a recently-synthesized compound that has an antiferromagnetic high-spin (HS) order at ambient pressure with a Néel temperature of 323 K. Under pressure, the HS nature of the ground-state transforms into a low-spin (LS). In this talk, we provide a theoretical analysis combining LDA+DMFT and strong-coupling effective model consistent with the experimental studies [1] that, in addition to the observed paramagnetic and antiferromagnetic regimes, points to the existence of a spin-state ordered (SSO) phase in between. This order is characterized by a checkerboard arrangement of HS and LS + IS (mixture of low- and intermediate-spin states).
Y. Tsujimoto et al., Sci. Rep. 6, 36253 (2016)