Antiferromagnetic spin structure and negative thermal expansion of Li2Ni(WO4)2

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dc.contributor.authorKarna, SKen_AU
dc.contributor.authorWang, CWen_AU
dc.contributor.authorSankar, Ren_AU
dc.contributor.authorAvdeev, Men_AU
dc.contributor.authorSingh, Aen_AU
dc.contributor.authorPanneer Muthuselvam, Ien_AU
dc.contributor.authorSingh, VNen_AU
dc.contributor.authorGuo, GYen_AU
dc.contributor.authorChou, FCen_AU
dc.date.accessioned2021-06-10T06:11:17Zen_AU
dc.date.available2021-06-10T06:11:17Zen_AU
dc.date.issued2015-07-10en_AU
dc.date.statistics2021-04-19en_AU
dc.description.abstractWe report the results of a study on the crystal and magnetic structure of Li2Ni(WO4)2 with a neutron diffraction technique. The Ni2+ spins of S = 1 for NiO6 octahedra are coupled via corner-sharing, nonmagnetic double tungstate groups in a super-superexchange route. Two magnetic anomalies at TN1∼ 18 K and TN2∼ 13 K are revealed from the measured magnetic susceptibility χ(T), and TN2 is confirmed to be the onset of a commensurate long-range antiferromagnetic (AF) ordering through neutron diffraction. A negative thermal expansion phenomenon is observed below TN2, which has been interpreted as a result of competing normal thermal contraction and long-range AF spin ordering through counterbalanced WO4 and NiO6 polyhedral local distortion. The AF spin structure has been modeled and used to show that Ni spins with a saturated magnetic moment of ∼1.90(27)μB that lies in the a−c plane approximately 46∘(±10∘) off the a axis. The experimental results are compared and found to be consistent with theoretical calculations using density-functional theory with a generalized gradient approximation plus on-site Coulomb interaction. ©2015 American Physical Societyen_AU
dc.identifier.articlenumber14413en_AU
dc.identifier.citationKarna, S. K., Wang, C. W., Sankar, R., Avdeev, M., Singh, A., Panneer Muthuselvam, I., Singh, V. N., Guo, G. Y., & Chou, F. C. (2015). Antiferromagnetic spin structure and negative thermal expansion of Li2Ni(WO4)2. Physical Review B, 92(1), 014413. doi:10.1103/PhysRevB.92.014413en_AU
dc.identifier.issn2469-9969en_AU
dc.identifier.issue1en_AU
dc.identifier.journaltitlePhysical Review Ben_AU
dc.identifier.urihttps://doi.org/10.1103/PhysRevB.92.014413en_AU
dc.identifier.urihttps://apo.ansto.gov.au/dspace/handle/10238/10858en_AU
dc.identifier.volume92en_AU
dc.language.isoenen_AU
dc.publisherAmerican Physical Societyen_AU
dc.subjectAntiferromagnetismen_AU
dc.subjectThermal expansionen_AU
dc.subjectNeutron diffractionen_AU
dc.subjectCrystal structureen_AU
dc.subjectMagnetic momentsen_AU
dc.subjectSpinen_AU
dc.titleAntiferromagnetic spin structure and negative thermal expansion of Li2Ni(WO4)2en_AU
dc.typeJournal Articleen_AU
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