title: Crystallographic, Electronic, and Magnetic Properties of Rock Salt Superstructure Sulfide Lu2CrS4 with Jahn-Teller Distortion.
abstract: A new chromium(II) sulfide, Lu2CrS4, with a novel structure was prepared by a solid-state reaction. The powder X-ray diffraction pattern could be indexed as a tetragonal system, with a = 7.46373(2) Å, c = 22.6338(2) Å, and space group I4̅2d (No. 122). Rietveld analysis of the pattern provided the crystal structure consisting of CrS6 and LuS6 octahedra sharing edges and apexes and revealed a rock salt superstructure with new cation (vacancy) arrangements. The electrical resistivity indicates semiconducting behavior. The magnetic susceptibility and specific heat measurements showed that the Cr ions are in the high-spin d(4) configuration and that their magnetic moments ordered antiferromagnetically at 55 K. The basic antiferromagnetic structure was determined using powder neutron diffraction data at 10 K. The band structure calculations demonstrate that the densities of states of Cr 3d electrons split into two spin-up eg bands because of Jahn-Teller distortion.
authors.affiliation: Research Division of Functional Materials Design, Graduate School of Engineering, Utsunomiya University , Utsunomiya 321-8585, Japan.
authors.forename: Keitaro
authors.initials: K
authors.lastname: Tezuka
authors.affiliation: Division of Chemistry, Graduate School of Science, Hokkaido University , Sapporo 060-0810, Japan.
authors.forename: Makoto
authors.initials: M
authors.lastname: Wakeshima
authors.affiliation: Research Division of Functional Materials Design, Graduate School of Engineering, Utsunomiya University , Utsunomiya 321-8585, Japan.
authors.forename: Masataka
authors.initials: M
authors.lastname: Nozawa
authors.affiliation: Research Division of Functional Materials Design, Graduate School of Engineering, Utsunomiya University , Utsunomiya 321-8585, Japan.
authors.forename: Keita
authors.initials: K
authors.lastname: Oshikane
authors.affiliation: Institute of Materials Research, Tohoku University , Sendai 980-8577, Japan.
authors.forename: Kenji
authors.initials: K
authors.lastname: Ohoyama
authors.affiliation: Research Division of Functional Materials Design, Graduate School of Engineering, Utsunomiya University , Utsunomiya 321-8585, Japan.
authors.forename: Yue Jin
authors.initials: YJ
authors.lastname: Shan
authors.affiliation: Research Division of Functional Materials Design, Graduate School of Engineering, Utsunomiya University , Utsunomiya 321-8585, Japan.
authors.forename: Hideo
authors.initials: H
authors.lastname: Imoto
authors.affiliation: Division of Chemistry, Graduate School of Science, Hokkaido University , Sapporo 060-0810, Japan.
authors.forename: Yukio
authors.initials: Y
authors.lastname: Hinatsu