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

Abstract

The magnetic phases of electron-doped infinite-layer Sr${}_{1-x}$La${}_x$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 $N(0)$ of low-energy states with multiple magnetic configurations are investigated. We highlight a subset of such states in which we note an increase in $N(0)$ to suggest the interesting effects of magnetic fluctuations and La substitution on the electronic structure of this material.

11 pages, 10 figures. This arXiv update is self-prepared to look similar to its published version (see journal reference and DOI below). All citations should refer to the published version

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Cited by in corpus (1)

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