2021
DOI: 10.1103/physrevb.104.224409
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Quantum magnetism of ferromagnetic spin dimers in αKVOPO4

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Cited by 6 publications
(3 citation statements)
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“…This raises the orbital degeneracy of 4d 1 Mo 5+ and leads to purely Heisenberg spins. This is similar to the crystal-field splitting of V 4+ that also forms short apical bonds within the VO 6 octahedra as in α-KVOPO 4 [46]. Orbital energies for KMoOP 2 O 7 determined from the tight-binding fit of the band structure are xy = 0.02 eV, yz = 0.98 eV, xz = 1.03 eV, x 2 −y 2 = 3.09 eV, and 3z 2 −r 2 = 4.50 eV.…”
Section: E Microscopic Magnetic Modelsupporting
confidence: 69%
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“…This raises the orbital degeneracy of 4d 1 Mo 5+ and leads to purely Heisenberg spins. This is similar to the crystal-field splitting of V 4+ that also forms short apical bonds within the VO 6 octahedra as in α-KVOPO 4 [46]. Orbital energies for KMoOP 2 O 7 determined from the tight-binding fit of the band structure are xy = 0.02 eV, yz = 0.98 eV, xz = 1.03 eV, x 2 −y 2 = 3.09 eV, and 3z 2 −r 2 = 4.50 eV.…”
Section: E Microscopic Magnetic Modelsupporting
confidence: 69%
“…These pairs of chains are separated from others within the bc plane by pyrophosphate molecules with distances ranging 6.18(1)-6.94(1) Å. Similar to other Mo 5+ and V 4+ containing materials [25,46,47], the formation of a short apical bond distorts the octahedral geometry with apical bond distances of d Mo−O7 = 1.67(1) Å and d Mo−O1 = 2.14(1) Å.…”
Section: A Crystal Structurementioning
confidence: 85%
“…This disparity should be traced back to the position of the vanadyl bonds and, consequently, the V 4+ magnetic orbitals, similar to α-KVOPO , where structural chains of the VO 6 octahedra split into ferromagnetic spin dimers. 52 Likewise, in Cu(VO) 2 (AsO 4 ) 2 , the infinite vanadate structural layers split into ferromagnetic zigzag spin chains that are further coupled via the Cu 2+ ions.…”
mentioning
confidence: 99%