Physics

Cluster (spacecraft)

Ab initio quantum chemistry methods

Symmetry (geometry)

Mathematics

Enhanced Data Rates for GSM Evolution

Antiferromagnetism

Heisenberg model

Chemistry

Programming language

Geometry

Condensed matter physics

Ab initio

Molecule

Computer science

Spin (aerodynamics)

Quantum mechanics

Anisotropy

Telecommunications

Thermodynamics

Journal of Physics Materials

High-spin $d^7$ Co(II) compounds have recently been identified as possible platforms for realising 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 Na$_2$Co$_2$TeO$_6$ and BaCo$_2$(AsO$_4$)$_2$ are discussed.

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

Magnetic couplings in edge-sharing high-spin d 7 compounds

Magnetic couplings in edge-sharing high-spin d ⁷ compounds