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Magnetic Excitations and Electronic Interactions in Sr2CuTeO6: A Spin-1/2 Square Lattice Heisenberg Antiferromagnet

Type of publication Peer-reviewed
Publikationsform Original article (peer-reviewed)
Author Babkevich P., Katukuri Vamshi M., Fak B., Rols S., Fennell T., Pajic D., Tanaka H., Pardini T., Singh R. R. P., Mitrushchenkov A., Yazyev O. V., Ronnow H. M.,
Project Mott Physics Beyond the Heisenberg Model in Iridates and Related Materials
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Original article (peer-reviewed)

Volume (Issue) 117(23)
Page(s) 237203
Title of proceedings PHYSICAL REVIEW LETTERS
DOI 10.1103/physrevlett.117.237203

Open Access

Type of Open Access Repository (Green Open Access)


Sr2CuTeO6 presents an opportunity for exploring low-dimensional magnetism on a square lattice of S = 1/2 Cu2+ ions. We employ ab initio multireference configuration interaction calculations to unravel the Cu2+ electronic structure and to evaluate exchange interactions in Sr2CuTeO6. 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 Sr2CuTeO6 is an almost ideal realization of a nearest-neighbor Heisenberg antiferromagnet but with relatively weak coupling of 7.18(5) meV.