2016
DOI: 10.1103/physrevlett.117.237203
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Magnetic Excitations and Electronic Interactions inSr2CuTeO6: A Spin-1/<

Abstract: Sr 2 CuTeO 6 presents an opportunity for exploring low-dimensional magnetism on a square lattice of S ¼ 1=2 Cu 2þ ions. We employ ab initio multireference configuration interaction calculations to unravel the Cu 2þ electronic structure and to evaluate exchange interactions in Sr 2 CuTeO 6 . 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… Show more

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Cited by 51 publications
(81 citation statements)
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“…Now we compare the exchange parameters estimated for Sr 2 CuWO 6 with those of Sr 2 CuTeO 6 [33,34]. Based on magnetic susceptibility measurements, it is estimated that in isostructural Sr 2 CuTeO 6 the ratio J 2 /J 1 < 0.07 [33], compared to ∼8 in Sr 2 CuWO 6 from the INS results, while recent inelastic neutron scattering measurements have reduced the Sr 2 CuTeO 6 value even further to 0.03 [34].…”
Section: Discussionmentioning
confidence: 96%
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“…Now we compare the exchange parameters estimated for Sr 2 CuWO 6 with those of Sr 2 CuTeO 6 [33,34]. Based on magnetic susceptibility measurements, it is estimated that in isostructural Sr 2 CuTeO 6 the ratio J 2 /J 1 < 0.07 [33], compared to ∼8 in Sr 2 CuWO 6 from the INS results, while recent inelastic neutron scattering measurements have reduced the Sr 2 CuTeO 6 value even further to 0.03 [34].…”
Section: Discussionmentioning
confidence: 96%
“…Based on magnetic susceptibility measurements, it is estimated that in isostructural Sr 2 CuTeO 6 the ratio J 2 /J 1 < 0.07 [33], compared to ∼8 in Sr 2 CuWO 6 from the INS results, while recent inelastic neutron scattering measurements have reduced the Sr 2 CuTeO 6 value even further to 0.03 [34]. Koga et al propose that this reversal in relative strengths of nearest and next nearest neighbor interactions is due to the outermost filled orbital in Te 6+ being d x 2 −y 2 , such that the two hole spins must be antiparallel, giving antiferromagnetic exchange J 1 and J 2 ; whereas in W 6+ the p x and p y orbitals are orthogonal so that the two hole spins are parallel, which would give a ferromagnetic exchange for J 1 and an antiferromagnetic exchange for J 2 .…”
Section: Discussionmentioning
confidence: 99%
“…The magnetic zone-boundary in S = 1/2 square-lattice AFMs displays a number of intriguing quantum effects [9,13,16,17,42,[44][45][46][47]. This is reflected on the spectrum in the following ways: (i) the zone-boundary at (π, 0) is around 8% lower than at (π/2, π/2); (ii) half of the single-magnon intensity at (π/2, π/2) is missing; and (iii) a continuum of intensity is found at (π/2, π/2).…”
Section: E Magnetic Field Dependencementioning
confidence: 99%
“…However, in Ref. [63] it was demonstrated that agreement with experiments could be obtained with sophisticated quantum chemistry methods.…”
Section: Sr 2 Cuteomentioning
confidence: 99%
“…Another magnetic material that has recently been scrutinized theoretically [63] is the double perovskite Sr 2 CuTeO 6 . Here the magnetic Cu 2+ ions comprise two-dimensional (2D) square planes where the superexchange interactions are mediated by intermediate TeO 6 octahedra, which make the interactions rather weak compared to oxygen-mediated superexchange.…”
Section: Sr 2 Cuteomentioning
confidence: 99%