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

Alpin N. Tatan; Jun Haruyama; Osamu Sugino

doi:10.1103/PhysRevB.109.165134

paper

Magnetic phases of electron-doped infinite-layer Sr $_{1 - x}$ La $_{x}$ CuO $_{2}$ from first-principles density functional calculations

arXiv:2308.10659 · doi:10.1103/PhysRevB.109.165134

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 $γ$ , 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.

arXiv comment11 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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Abstract

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Magnetic phases of electron-doped infinite-layer Sr $_{1 - x}$ La $_{x}$ CuO $_{2}$ from first-principles density functional calculations