Magnetic excitations and electronic interactions in Sr$_2$CuTeO$_6$: a spin-1/2 square lattice Heisenberg antiferromagnet

P. Babkevich; Vamshi M. Katukuri; B. Fåk; S. Rols; T. Fennell; D. Pajić; H. Tanaka; T. Pardini; R. R. P. Singh; A. Mitrushchenkov; O. V. Yazyev; H. M. Rønnow

doi:10.1103/PhysRevLett.117.237203

paper

Magnetic excitations and electronic interactions in Sr $_{2}$ CuTeO $_{6}$ : a spin-1/2 square lattice Heisenberg antiferromagnet

arXiv:1605.09714 · doi:10.1103/PhysRevLett.117.237203

Abstract

Sr $_{2}$ CuTeO $_{6}$ presents an opportunity for exploring low-dimensional magnetism on a square lattice of $S = 1/2$ Cu $^{2 +}$ ions. We employ ab initio multi-reference configuration interaction calculations to unravel the Cu $^{2 +}$ electronic structure and to evaluate exchange interactions in Sr $_{2}$ CuTeO $_{6}$ . 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 Sr $_{2}$ CuTeO $_{6}$ is an almost realization of a nearest-neighbor Heisenberg antiferromagnet but with relatively weak coupling of 7.18(5) meV.

10 pages, 7 figures

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Magnetic excitations and electronic interactions in Sr2​CuTeO6​: a spin-1/2 square lattice Heisenberg antiferromagnet

Abstract

References in corpus (19)

Cited by in corpus (34)

Magnetic excitations and electronic interactions in Sr $_{2}$ CuTeO $_{6}$ : a spin-1/2 square lattice Heisenberg antiferromagnet