We determine the pressure phase diagram of the 1111 compounds CaFeAsF and SrFeAsF, up to 20 GPa and down to 4 K by electrical resistivity measurements and the change of structure up to 40 GPa at room temperature. The antiferromagnetic transition temperature, as determined by the derivative peak, shows a minimum at ~5 GPa (10 GPa) for the Ca (Sr) compound. For CaFeAsF, superconductivity appears at this minimum, coincident with the development of a previously reported monoclinic phase. For SrFeAsF, where the orthorhombic and the monoclinic phase were reported to coexist, superconductivity exists above P≥1 GPa. Both phase diagrams can be scaled by a shift of ~10 GPa pressure at which the volume of SrFeAsF and that of CaFeAsF at ambient pressure coincide. The difference of our phase diagram with that of electron-doped 1111 samples is accounted for by hole doping under pressure, which we verified through electron band structure calculations.

We measure the pressure dependence of the electrical resistivity and the crystal structure of iron superconductor Sr2VO3FeAs. Below ∼ 10 GPa the structure compresses but remains undeformed, with regular FeAs4 tetrahedrons, and a constant Tc. Beyond 10 GPa, the tetrahedron strongly distorts, while Tc goes gradually to zero. Band structure calculations of the undistorted structure show multiple-nesting features that hinder the development of an antiferromagnetic (AF) ground state, allowing the appearance of superconductivity. The deformation of the tetrahedra that breaks band degeneracy degrades multiple nesting, thus favouring one particular AF state at the expense of Tc.