High-pressure structural behaviour of Cu0.5Fe0.5Cr2S4: An experimental and theoretical study

A Waśkowska,L Gerward,J Staun Olsen,A Svane,G Vaitheeswaran,V Kanchana

Journal of Alloys and Compounds（2013）

引用 4|浏览11

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摘要

•First high-pressure study of the thiospinel Cu½Fe½Cr2S4.•First determination of the bulk modulus and its pressure derivative.•Phase transition, reducing symmetry to lower than cubic, at 14.5GPa.•Jahn–Teller activity of Cu(2+) and high-spin to low-spin transition of Fe(2+).

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关键词

High-pressure X-ray diffraction,Synchrotron radiation,Density functional theory,Bulk modulus,Phase transition,Jahn–Teller effect

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