Temperature and pressure evolution of the crystal structure of Ax(Fe1-ySe)2 (A = Cs, Rb, K) studied by synchrotron powder diffraction

Details Temperature and pressure evolution of the crystal structure of Ax(Fe1-ySe)2 (A = Cs, Rb, K) studied by synchrotron powder diffraction Temperature and pressure evolution of the crystal structure of Ax(Fe1-ySe)2 (A = Cs, Rb, K) studied by synchrotron powder diffraction

2011-05-30

arxiv.org/abs/1105.6130v1

Inorg. Chem. 2011, 50, 10703-10708

Physics

Condensed Matter

Materials Science

11 pages, 5 figures, 1 table

Scientific paper

10.1021/ic201160y

Temperature-dependent synchrotron powder diffraction on Cs0.83(Fe0.86Se)2 revealed first order I4/m to I4/mmm structural transformation around 216{\deg}C associated with the disorder of the Fe vacancies. Irreversibility observed during the transition is likely associated with a mobility of intercalated Alkali atoms. Pressure-dependent synchrotron powder diffraction on Cs0.83(Fe1-ySe)2, Rb0.85(Fe1-ySe)2 and K0.8(Fe1-ySe)2 (y ~ 0.14) indicated that the I4/m superstructure reflections are present up to pressures of 120 kbar. This may indicate that the ordering of the Fe vacancies is present in both superconducting and non-superconductive states.

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