Magnetic phases of electron-doped infinite-layer Sr$_{1-x}$La$_x$CuO$_2$ from first-principles density functional calculations
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arXiv
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| Format: | Preprint |
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2023
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| _version_ | 1866910733746307072 |
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| author | Tatan, Alpin N. Haruyama, Jun Sugino, Osamu |
| author_facet | Tatan, Alpin N. Haruyama, Jun Sugino, Osamu |
| contents | 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. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2308_10659 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | Magnetic phases of electron-doped infinite-layer Sr$_{1-x}$La$_x$CuO$_2$ from first-principles density functional calculations Tatan, Alpin N. Haruyama, Jun Sugino, Osamu Superconductivity Materials Science Strongly Correlated Electrons Computational Physics 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. |
| title | Magnetic phases of electron-doped infinite-layer Sr$_{1-x}$La$_x$CuO$_2$ from first-principles density functional calculations |
| topic | Superconductivity Materials Science Strongly Correlated Electrons Computational Physics |
| url | https://arxiv.org/abs/2308.10659 |