Weihrich, Richard and Yan, Wenjie and Rothballer, Jan and Peter, Philipp and Rommel, Stefan Michael and Haumann, Sebastian and Winter, Florian and Schwickert, Christian and Poettgen, Rainer (2015) Tuneable anisotropy and magnetism in Sn2Co3S2-xSex - probed by Sn-119 Mossbauer spectroscopy and DFT studies. DALTON TRANSACTIONS, 44 (36). pp. 15855-15864. ISSN 1477-9226, 1477-9234
Full text not available from this repository. (Request a copy)Abstract
The half metal (HFM) Sn2Co3S2 shows a fascinating S = 1/2 magnetism. Anisotropic coupling of spins in and between Co Kagome layers by Sn sites is now studied from the substitution effects of S by Se by systematic and local experimental and first principles data. Trends in crystal structure changes (c/a ratio) as retrieved from XRD data on the solid solution Sn2Co3S2-xSex are complemented by DFT modelling on Sn2Co3SeS and hitherto unknown Sn2Co3Se2. The relationship of crystal structure effects with changes in Curie temperatures and magnetic hysteresis is shown from susceptibility measurements. An insight into the role of the Sn sites in magnetism and bonding is gained from Sn-119 Mossbauer spectroscopic measurements. Isomer shifts, quadrupole splitting, and magnetic hyperfine fields are interpreted by DFT calculations on chemical bonding, electric field gradients (EFG), Fermi contact, and spin polarization.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | METALLIC FERROMAGNET CO3SN2S2; HALF-ANTIPEROVSKITES; THERMOELECTRIC PROPERTIES; TRANSPORT-PROPERTIES; ELECTRONIC-STRUCTURE; NEUTRON-DIFFRACTION; BAND-STRUCTURE; ISOMER-SHIFTS; CO3M2S2 M; SN; |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Anorganische Chemie > Arbeitskreis Dr. Richard Weihrich |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 29 Jul 2019 13:52 |
| Last Modified: | 29 Jul 2019 13:52 |
| URI: | https://pred.uni-regensburg.de/id/eprint/6206 |
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