https://doi.org/10.1140/epjb/e2011-10914-7
Structural and electronic properties of Y2CrS4 from first-principles study
1
State Key Laboratory of Magnetism, Beijing National
Laboratory for Condensed Matter Physics, Institute of Physics,
Chinese Academy of Sciences, Beijing, 100080, P.R. China
2
Institute of Theoretical Physics and Department
of Physics, Shanxi University, Taiyuan, 030006, P.R. China
Corresponding authors: a wbt11129@sxu.edu.cn - b fwwang@aphy.iphy.ac.cn
Received:
23
November
2010
Revised:
28
January
2011
Published online:
4
March
2011
We systematically study the structural, electronic, and magnetic properties of chromium sulfide Y2CrS4 by using density-functional theory. We find that antiferromagnetic order is more energetically favorable than ferromagnetic state and near the Fermi level the main occupation is from Cr 3d states.
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2011
