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

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

Izvornik
Physical Review Letters (0031-9007) 117 (2016); 237203-1

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
low-dimensional magnet, Heisenberg antiferromagnet, Sr2CuTeO6 double perovskite, ab initio multireference configuration interaction calculations, electronic structure, inelastic neutron scattering, exchange interaction, magnetization

Sažetak
Sr2CuTeO6 presents an opportunity for exploring low-dimensional magnetism on a square lattice of S=1/2 Cu 2+ ions. We employ ab initio multireference configuration interaction calculations to unravel the Cu 2+ electronic structure and to evaluate exchange interactions in Sr2CuTeO6. The latter results are validated by inelastic neutron acattering 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.

Izvorni jezik
Engleski

Znanstvena područja
Fizika

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