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Published in

IOP Publishing, Journal of Physics: Materials, 4(5), p. 045003, 2022

DOI: 10.1088/2515-7639/ac94f8

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Magnetic couplings in edge-sharing high-spin d <sup>7</sup> compounds

Journal article published in 2022 by Stephen M. Winter ORCID
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

Abstract High-spin d 7 Co(II) compounds have recently been identified as possible platforms for realizing highly anisotropic and bond-dependent couplings featured in quantum-compass models such as the celebrated Kitaev model. In order to evaluate this potential, we consider all symmetry-allowed contributions to the magnetic exchange for ideal edge-sharing bonds. Though a combination of ab-initio and cluster many-body calculations we conclude that bond-dependent couplings are generally suppressed in favor of Heisenberg exchange for real materials. Consequences for several prominent materials including Na2Co2TeO6 and BaCo2(AsO4)2 are discussed.