Crystallographic, Electronic, and Magnetic Properties of Rock Salt Superstructure Sulfide Lu2CrS4 with Jahn鈥揟eller Distortion

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• 作者：Keitaro Tezuka ; Makoto Wakeshima ; Masataka Nozawa ; Keita Oshikane ; Kenji Ohoyama ; Yue Jin Shan ; Hideo Imoto ; Yukio Hinatsu
• 刊名：Inorganic Chemistry
• 出版年：2015
• 出版时间：October 19, 2015
• 年：2015
• 卷：54
• 期：20
• 页码：9802-9809
• 全文大小：481K
• ISSN：1520-510X

文摘

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) 脜, c = 22.6338(2) 脜, and space group I4虆2d (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 d⁴ 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 e_g bands because of Jahn鈥揟eller distortion.