Material Optimization of Potential High-Tc Superconducting Single-layer Cuprates
Abstract
We investigated the material parameters of several single-layer cuprates, including those with fluorinated buffer layers, with the aim of identifying possible high-temperature superconductors. To evaluate the material parameters, we use the Wannierization techniques and the constrained random phase approximation. The obtained single-band Hubbard models are studied using the fluctuation-exchange approximation. Comparison among several cuprates reveals unknown high-Tc superconductors. In, Ga, Al, and Cd compounds in particular show the potential to exhibit higher-Tc superconductivity than Hg1201.
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