Abstract
presents an opportunity for exploring low-dimensional magnetism on a square lattice of ions. We employ ab initio multireference configuration interaction calculations to unravel the electronic structure and to evaluate exchange interactions in . The latter results are validated by inelastic neutron scattering using linear spin-wave theory and series-expansion corrections for quantum effects to extract true coupling parameters. Using this methodology, which is quite general, we demonstrate that is an almost ideal realization of a nearest-neighbor Heisenberg antiferromagnet but with relatively weak coupling of 7.18(5) meV.
- Received 31 May 2016
DOI:https://doi.org/10.1103/PhysRevLett.117.237203
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