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The magnetic phases of electron-doped, infinite-layer$\mathrm{Sr}_{1-x}\mathrm{La}_{x}\mathrm{CuO}_2$ are elucidated byfirst-principles density functional calculations. We describe theantiferromagnetic parent state, metallic phase transition, as well as latticestructure evolution due to electron doping and external pressure that areconsistent with experiments where comparison is possible. We investigatelow-energy states with multiple magnetic configurations and study theirspecific heat coefficients, magnetic exchange coupling, as well as the densityof states at Fermi level. The latter quantity is used to suggest the effects ofmagnetic fluctuations on the electronic structure of this strongly correlatedmaterial.

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