A DFT investigation of pressure effects in the infinite-layer ACuO$ _{2} $ cuprate superconductor for A=\{Mg, Ca, Sr, Ba\}

ORAL

Abstract

We use density functional theory to investigate external-pressure and ``internal-pressure'' effects in the infinite-layer cuprate ACuO$_2$ for A=\{Mg, Ca, Sr, Ba\}, where internal-pressure is induced by ion-size substitution. Where these materials have been synthesised we find good agreement between our calculated structural parameters and the experimental ones. We find that these non-hydrostatic pressure-effects can have a significant effect on the superconducting energy gap via modifications to the electronic dispersion. Furthermore, pressure alters the dispersion independently of how it is applied (internal or external) so that the superconducting energy gap correlates with the unit-cell volume.

Authors

  • Ben Mallett

    • MacDiarmid Institute
  • Nicola Gaston

    • Victoria University of Wellington
    • MacDiarmid Institute
  • James Storey

    • MacDiarmid Institute
  • Grant Williams

    • The MacDiarmid Institute, Wellington University of Wellington, PO Box 600, Wellington 6140, New Zealand
    • MacDiarmid Institute
  • Alan Kaiser

    • MacDiarmid Institute
  • Jeffery Tallon

    • MacDiarmid Institute