Abstract
Application of high pressure (HP) induces evolution from metallic to semi-metallic state in the layered superconducting LaO1-xFxBiSe2 phase, as concluded from ab initio calculations based on experimental P-dependent structural data. These changes in conduction properties are associated with a reported decrease in the superconducting transition temperature, Tc. However, further increase in pressure induces structural transformation in LaO1-xFxBiSe2 which results in a strong enhancement of its two-dimensionality with a related improvement in superconducting performance. In addition, the HP structural anisotropy induces a loss of long-range order correlations along the stacking direction of the LaO/F and BiSe2 layers yielding formation of stacking faults. Similar but even more pronounced structural transition was observed in the related LaO1-xFxBiS2 phase which is also accompanied by an increase in Tc. This demonstrates that enhancement of two-dimensionality in layered superconducting systems acts in favor of their superconducting performance.
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