Crystal and magnetic structures of melilite-type Ba2MnSi2O7

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dc.contributor.authorSale, Men_AU
dc.contributor.authorXia, Qen_AU
dc.contributor.authorAvdeev, Men_AU
dc.contributor.authorLing, CDen_AU
dc.date.accessioned2021-06-28T00:30:45Zen_AU
dc.date.available2021-06-28T00:30:45Zen_AU
dc.date.issued2019-03-06en_AU
dc.date.statistics2021-06-16en_AU
dc.description.abstractMelilite-type Ba2MnSi2O7 was synthesized by a standard powder solid-state reaction route, and its magnetic properties were studied at low temperature. The magnetic structure was found to be C-type pointing along the c axis from neutron powder diffraction, which is different from the G-type ordering previously reported in all other 2-2-4-2 melilites with manganese as the B′-site transition metal. Ab initio (density functional theory) and magnetic dipole–dipole calculations were used to understand the magnetic structure by determining the spin supersuperexchange parameters as well as the relative influence of spin–orbit coupling and the magnetic dipole–dipole interactions. © 2019 American Chemical Societyen_AU
dc.identifier.citationSale, M., Xia, Q., Avdeev, M., & Ling, C. D. (2019). Crystal and magnetic structures of melilite-type Ba2MnSi2O7. Inorganic Chemistry, 58(7), 4164–4172. doi:10.1021/acs.inorgchem.8b03195en_AU
dc.identifier.issn1520-510Xen_AU
dc.identifier.issue7en_AU
dc.identifier.journaltitleInorganic Chemistryen_AU
dc.identifier.pagination4164-4172en_AU
dc.identifier.urihttps://doi.org/10.1021/acs.inorgchem.8b03195en_AU
dc.identifier.urihttps://apo.ansto.gov.au/dspace/handle/10238/10906en_AU
dc.identifier.volume58en_AU
dc.language.isoenen_AU
dc.publisherAmerican Chemical Societyen_AU
dc.subjectMagnetic propertiesen_AU
dc.subjectEnergyen_AU
dc.subjectTransition elementsen_AU
dc.subjectCrystal structureen_AU
dc.subjectNeutron diffractionen_AU
dc.subjectTemperature range 0065-0273 Ken_AU
dc.titleCrystal and magnetic structures of melilite-type Ba2MnSi2O7en_AU
dc.typeJournal Articleen_AU
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