Abstract
The structural properties under hydrostatic pressure up to3 GPa of the layered rare earth carbide halide superconductorY2C2I2 are studied by neutron powder diffraction at room temperature. The compressibilities areanisotropic, such that the compressibility perpendicular to the layers is approximatelytwice as large as within the layers. The atomic positional parameters determined from thepowder diffraction patterns as a function of pressure were used as the basis for highlyresolved electronic structure calculations. These reveal the electronic density of states atEF to increase with pressure. As is shown quantitatively, this effect outweighs the pressure inducedlattice stiffening effects and is responsible for the pressure induced increase and saturation ofTc towards 2 GPa.
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