By means of neutron powder diffraction on antiferromagnetic samples of BaCo1-xNixS2 the spin structure has been determined. The magnitudes of the ordered moments are ∼ 2.9μB at 10 K for x -0.0 and ∼ 1.7μB at 100 K for x = 0.175. The results are not compatible with the electronic configuration (3d3z2-r2)1+x, which was previously assumed to explain the physical behavior of the system. Instead, the configuration seems to be (3dyz or 3dzx)1(3d3z2-r2)1(3d x2-y2)1 in BaCoS2. Each Ni atom substituted for Co adds one electron to this system. Based on this basic picture of the electronic structure, various physical properties of BaCo1-xNixS2 ever published are discussed.
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)