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.
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Authors
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Ben Mallett
MacDiarmid Institute
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Nicola Gaston
Victoria University of Wellington, MacDiarmid Institute
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James Storey
MacDiarmid Institute
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Grant Williams
The MacDiarmid Institute, Wellington University of Wellington, PO Box 600, Wellington 6140, New Zealand, MacDiarmid Institute
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Alan Kaiser
MacDiarmid Institute
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Jeffery Tallon
MacDiarmid Institute