Sensitivity of the electronic and magnetic structures of cuprate superconductors to density functional approximations

Kanun Pokharel, Christopher Lane, James W. Furness +7

We discuss the crystal, electronic, and magnetic structures of $\mathrm{L}{\mathrm{a}}_{2-\mathrm{x}}\mathrm{S}{\mathrm{r}}_{\mathrm{x}}\mathrm{Cu}{\mathrm{O}}_4$ (LSCO) for $x=0.0$ and $x=0.25$ employing 13 density functional approximations, repr…