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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
R. r. p. Singh 7
Author
A. O. Mitrushchenkov 8
Author IdHAL : alexander-mitrushchenkov ORCID : https://orcid.org/0000-0002-2122-7322
O. v. Yazyev 1
Author
H. m. Rønnow 1
Author
1
EPFL- Institute of Theoretical Physics (Switzerland)
- EPFL - Ecole Polytechnique Fédérale de Lausanne (CH-1015 Lausanne, Switzerland - Switzerland)
2
ILL - Institut Laue-Langevin (6, rue Jules Horowitz BP 156 38042 Grenoble Cedex 9 - France)
- ILL (France)
3
Laboratory for Neutron Scattering (ETH Zurich and Paul Scherrer Institut, 5232 Villigen PSI - Switzerland)
- Laboratory for Neutron Scattering (France)
4
Department of Physics [Zagreb] (Croatia)
- Faculty of Science [Zagreb] (Horvatovac 102a
10000 Zagreb - Croatia)
- University of Zagreb (p.p. 407 Trg maršala Tita 14 HR-10002 ZAGREB, CROATIA Phone: (+385 1) 4564 111 Fax: (+ 385 1) 4830 602 - Croatia)
5
TOKYO INSTITUTE OF TECHNOLOGY - Department of Physics, Tokyo Institute of Technology (Tokyo Institute of Technology, Tokyo 152-8551 - Japan)
- TITECH - Tokyo Institute of Technology [Tokyo] (2-12-1 Ookayama, Meguro-ku, Tokyo, 152-8550 - Japan)
6
LLNL - Lawrence Livermore National Laboratory (7000 East Avenue • Livermore, CA 94550 - United States)
7
Department of Physics, University of California (PO Box 951310, 10244 Bunche Hall, Los Angeles, CA 90095-1310 - United States)
- UCLA - University of California [Los Angeles] ( Los Angeles, Californie 90095 - United States)
- University of California (United States)
8
MSME - Laboratoire de Modélisation et Simulation Multi Echelle (Université Paris-Est, 5 Bd Descartes, 77454 Marne-la-Vallée, Cedex 2
Université Paris-Est Créteil Val de Marne (UPEC) Faculté des Sciences et Technologie - Equipe de Biomécanique
61 avenue du général de Gaulle 94010 Créteil Cedex - France)
- UPEM - Université Paris-Est Marne-la-Vallée (5 boulevard Descartes - Champs-sur-Marne - 77454 Marne-la-Vallée Cedex 2 - France)
- UPEC UP12 - Université Paris-Est Créteil Val-de-Marne - Paris 12 : UMR8208 (61 avenue du Général de Gaulle - 94010 Créteil cedex - France)
- CNRS - Centre National de la Recherche Scientifique : UMR8208 (France)
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.
Document type :
Journal articles
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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 : Tuesday, May 4, 2021 - 3:36:07 PM
Contributor : Alexander Mitrushchenkov <>
Submitted on : Thursday, January 12, 2017 - 9:56:08 AM
Last modification on : Tuesday, May 4, 2021 - 3:36:07 PM
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Identifiers
- HAL Id : hal-01432760, version 1
- DOI : 10.1103/PhysRevLett.117.237203
Citation
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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