Magnetic interplay of Mn and Yb sites in YbMn2Si2 – crystal field and electronic structure studies

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dc.contributor.authorMole, RAen_AU
dc.contributor.authorCortie, DLen_AU
dc.contributor.authorHofmann, Men_AU
dc.contributor.authorWang, JLen_AU
dc.contributor.authorYu, DHen_AU
dc.contributor.authorWang, Xen_AU
dc.contributor.authorCampbell, SJen_AU
dc.date.accessioned2023-02-01T23:23:59Zen_AU
dc.date.available2023-02-01T23:23:59Zen_AU
dc.date.issued2018-01-30en_AU
dc.date.statistics2022-08-30en_AU
dc.description.abstractThe layered RT2X2 series of compounds (R = rare-earth, T = 3d, 4d transition metal, X = Si, Ge) of bct ThCr2Si2–type structure (I4/mmm) is one of the most widely studied systems in condensed matter and materials science [e.g. 1]. Yb-based compounds are of particular interest with their intermediate valence character leading to a wide range of unusual physical and magnetic properties. Following investigation of the magnetic dynamics of YbT2Si2 for non-magnetic T = Ni, Co and Fe [2], we investigated YbMn2Si2 to explore the interaction between the crystal field excitations of Yb atoms and the magnetic ordering of Mn atoms by thermal inelastic neutron scattering [3]. Here we extend these studies of crystal field splittingof YbMn2Si2 to high resolution (800 μeV and a dynamic range of ~14 meV; PELICAN, OPAL) over the temperature range 5-65 K. The results have been analysed in terms of a crystal field model above and below TN2, the temperature at which the collinear antiferromagnetic structure AFil (TN1 = 526(4) K > T > TN2 = 32(2) K) transforms to the low temperature structure below TN2 in which the magnetic cell is doubled along the c-axis [e.g. 3]. Density functional theory with a Hubbard correction (DFT+U method) was used to model YbMn2Si2. A key finding is that the 4f electron Ueffparameter in this compound needs to be negative to stabilise the trivalent state of YbMn2Si2 with the strength of these interactions reflected in contraction of the lattice parameter.en_AU
dc.identifier.citationMole, R. A., Cortie, D. L., Hofmann, M., Wang. J., Yu, D. Wang, X., & Campbell, S. J. (2018). Magnetic interplay of Mn and Yb sites in YbMn2Si2 – crystal field and electronic structure studies. Paper presented to the 42nd Annual Condensed Matter and Materials Meeting Charles Sturt University, Wagga Wagga, NSW 30th January – 2nd February, 2018, (pp. 81). Retrieved from: https://physics.org.au/wp-content/uploads/cmm/2018/Wagga_2018_Conference_Handbook.pdfen_AU
dc.identifier.conferenceenddate2 February 2018en_AU
dc.identifier.conferencename42nd Annual Condensed Matter and Materials Meetingen_AU
dc.identifier.conferenceplaceWagga Wagga, NSWen_AU
dc.identifier.conferencestartdate30 January 2018en_AU
dc.identifier.pagination81en_AU
dc.identifier.urihttps://physics.org.au/wp-content/uploads/cmm/2018/Wagga_2018_Conference_Handbook.pdfen_AU
dc.identifier.urihttps://apo.ansto.gov.au/dspace/handle/10238/14592en_AU
dc.language.isoenen_AU
dc.publisherAustralian Institute of Physicsen_AU
dc.subjectManganeseen_AU
dc.subjectYtterbiumen_AU
dc.subjectCrystal fielden_AU
dc.subjectTransition metalsen_AU
dc.subjectSiliconen_AU
dc.subjectGermaniumen_AU
dc.subjectMaterialsen_AU
dc.subjectValenceen_AU
dc.subjectTemperature range 0013-0065 Ken_AU
dc.subjectCrystal latticesen_AU
dc.titleMagnetic interplay of Mn and Yb sites in YbMn2Si2 – crystal field and electronic structure studiesen_AU
dc.typeConference Presentationen_AU
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