Magnetic phases of electron-doped infinite-layer ${\mathrm{Sr}}_{1-x}{\mathrm{La}}_x{\mathrm{CuO}}_2$ from first-principles density functional calculations

The magnetic phases of electron-doped infinite-layer ${\mathrm{Sr}}_{1-x}{\mathrm{La}}_x{\mathrm{CuO}}_2$ are elucidated by first-principles density functional calculations. The antiferromagnetic parent state, metallic transition, as well as lattice evolution with doping and pressure are found to be consistent with experiments. The specific heat coefficient $\gamma$, magnetic exchange coupling $J$, as well as the density of states at Fermi level $N\left(0\right)$ of low-energy states with multiple magnetic configurations are investigated. We highlight a subset of such states in which we note an increase in $N\left(0\right)$ to suggest the interesting effects of magnetic fluctuations and La substitution on the electronic structure of this material.