Tuneable anisotropy and magnetism in Sn2Co3S2-xSex - probed by (119)Sn Mößbauer spectroscopy and DFT studies.
The half metal (HFM) Sn2Co3S2 shows a fascinating S = 1/2 magnetism. Anisotropic coupling of spins in and between Co Kagomé 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 (119)Sn Mössbauer 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.
University of Regensburg, Institute of Inorganic Chemistry, Universitätsstraße 31, 93040 Regensburg, Germany. richard.weihrich@ur.de.
Richard
R
Weihrich
Wenjie
W
Yan
Jan
J
Rothballer
Philipp
P
Peter
Stefan Michael
SM
Rommel
Sebastian
S
Haumann
Florian
F
Winter
Christian
C
Schwickert
Rainer
R
Pöttgen