The Structure of Ferroselite, FeSe2, at Pressures Upto 46 GPa and Temperatures Down to 50 K: ASingle-Crystal Micro-Diffraction Analysis

Barbara Lavina; Robert T Downs; Stanislav Sinogeikin

doi:10.20944/preprints201806.0183.v1

Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

Version 1 : Received: 11 June 2018 / Approved: 12 June 2018 / Online: 12 June 2018 (10:25:24 CEST)

We conducted an in-situ crystal structure analysis of ferroselite at non-ambient conditions. The aim is to provide a solid ground to further the understanding of the properties of this material in a broad range of conditions. Ferroselite, marcasite-type FeSe2, was studied under high pressures up to 46 GPa and low temperatures, down to 50 K using single-crystal microdiffraction techniques. High pressure and low temperatures were generated using a diamond anvil cell and a cryostat. We found no evidences of structural instability in the explored P-T space. The deformation of the orthorhombic lattice is slightly anisotropic. As expected, the compressibility of the Se-Se dumbbell, the longer bond in the structure, is larger than that of the Fe-Se bonds. Less obvious is the behavior of the octahedral bonds, the shorter bond is the most compressible determining a small increase in the octahedron distortion with pressure. We also achieved a robust structural analysis of ferroselite at low temperature in the diamond anvil cell. Structural changes upon temperature decrease are small but qualitatively similar to those produced by pressure.

FeSe2; high pressure; low temperature; single crystal diffraction

PHYSICAL SCIENCES, Condensed Matter Physics

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The Structure of Ferroselite, FeSe₂, at Pressures Upto 46 GPa and Temperatures Down to 50 K: ASingle-Crystal Micro-Diffraction Analysis

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