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Theoretical investigation of excitonic magnetism in LaSrCoO$_{4}$

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arxiv 1712.03774 v2 pith:IXXFVO2O submitted 2017-12-11 cond-mat.str-el cond-mat.mtrl-sci

classification cond-mat.str-elcond-mat.mtrl-sci
keywords excitonlasrcooexcitonicfindinteractionlayeredorderedparameters
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abstract

We use the LDA+U approach to search for possible ordered ground states of LaSrCoO$_4$. We find a staggered arrangement of magnetic multipoles to be stable over a broad range of Co $3d$ interaction parameters. This ordered state can be described as a spin-denity-wave-type condensate of $d_{xy} \otimes d_{x^2-y^2}$ excitons carrying spin $S=1$. Further, we construct an effective strong-coupling model, calculate the exciton dispersion and investigate closing of the exciton gap, which marks the exciton condensation instability. Comparing the layered LaSrCoO$_4$ with its pseudo cubic analog LaCoO$_3$, we find that for the same interaction parameters the excitonic gap is smaller (possibly vanishing) in the layered cobaltite.

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