Pressure induced half-collapsed-tetragonal phase in CaKFe${}_4$As${}_4$

Abstract

We report the temperature-pressure phase diagram of CaKFe${}_4$As${}_4$ established using high pressure electrical resistivity, magnetization and high energy x-ray diffraction measurements up to 6 GPa. With increasing pressure, both resistivity and magnetization data show that the bulk superconducting transition of CaKFe${}_4$As${}_4$ is suppressed and then disappears at $p$ $\gtrsim$ 4 GPa. High pressure x-ray data clearly indicate a phase transition to a collapsed tetragonal phase in CaKFe${}_4$As${}_4$ under pressure that coincides with the abrupt loss of bulk superconductivity near 4 GPa. The x-ray data, combined with resistivity data, indicate that the collapsed tetragonal transition line is essentially vertical, occuring at 4.0(5) GPa for temperatures below 150 K. Band structure calculations also find a sudden transition to a collapsed tetragonal state near 4 GPa, as As-As bonding takes place across the Ca-layer. Bonding across the K-layer only occurs for $p$ $\ge$ 12 GPa. These findings demonstrate a new type of collapsed tetragonal phase in CaKFe${}_4$As${}_4$: a half-collapsed-tetragonal phase.

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