Magnetic Excitations and Electronic Interactions in Sr 2 CuTeO 6 : A Spin- 1 / 2 Square Lattice Heisenberg Antiferromagnet

P. Babkevich 1 Vamshi M. Katukuri 1 B. Fåk 2 S. Rols 2 T. Fennell 3 D. Pajić 4 H. Tanaka 5 T. Pardini 6 R. r. p. Singh 7 A. Mitrushchenkov 8 O. v. Yazyev 1 H. m. Rønnow 1
1 EPFL- Institute of Theoretical Physics
2 ILL - Institut Laue-Langevin
3 Laboratory for Neutron Scattering
4 Department of Physics, Faculty of Science, University of Zagreb, Zagreb 10002, Croatia
5 TOKYO INSTITUTE OF TECHNOLOGY - Department of Physics, Tokyo Institute of Technology
6 LLNL - Lawrence Livermore National Laboratory
7 Department of Physics, University of California
8 MSME - Laboratoire de Modélisation et Simulation Multi Echelle
Abstract : Sr2CuTeO6 presents an opportunity for exploring low-dimensional magnetism on a square lattice of S ¼ 1=2 Cu2þ ions. We employ ab initio multireference configuration interaction calculations to unravel the Cu2þ 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.
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https://hal-upec-upem.archives-ouvertes.fr/hal-01432760
Contributor : Alexander Mitrushchenkov <>
Submitted on : Thursday, January 12, 2017 - 9:56:08 AM
Last modification on : Wednesday, August 7, 2019 - 12:14:40 PM

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P. Babkevich, Vamshi M. Katukuri, B. Fåk, S. Rols, T. Fennell, et al.. Magnetic Excitations and Electronic Interactions in Sr 2 CuTeO 6 : A Spin- 1 / 2 Square Lattice Heisenberg Antiferromagnet. Physical Review Letters, American Physical Society, 2016, 117 (23), pp.237203. ⟨10.1103/PhysRevLett.117.237203⟩. ⟨hal-01432760⟩

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