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

Babkevich, P. and Katukuri, Vamshi M. and Fak, B. and Rols, S. and Fennell, T. and Pajić, Damir and Tanaka, H. and Pardini, T. and Singh, R. R. P. and Mitrushchenkov, A. and Yazyev, O. V. and Ronnow, H. M. (2016) Magnetic Excitations and Electronic Interactions in Sr2CuTeO6: A Spin-1/2 Square Lattice Heisenberg Antiferromagnet. Physical Review Letters, 117 (23). pp. 237203-6. ISSN 0031-9007

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Abstract

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.

Item Type: Article
Keywords: low-dimensional magnet, Heisenberg antiferromagnet, Sr2CuTeO6 double perovskite, ab initio multireference configuration interaction calculations, electronic structure, inelastic neutron scattering, exchange interaction, magnetization
Date: 2 December 2016
Subjects: NATURAL SCIENCES > Physics
Additional Information: ©2016 American Physical Society. Received 31 May 2016; published 2 December 2016.
Divisions: Faculty of Science > Department of Physics
Project code: HRZZ-UIP-2014-09-8276
Publisher: American Physical Society
Depositing User: Gordana Stubičan Ladešić
Date Deposited: 07 Feb 2017 17:23
Last Modified: 29 Nov 2017 15:16
URI: http://digre.pmf.unizg.hr/id/eprint/5437

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