$Ab$ $initio$ material design of Ag-based oxides for high-$T_c$ superconductor
Abstract
We propose silver-based oxides with layered perovskite structure as candidates of exhibiting intriguing feature of strongly correlated electrons. The compounds show unique covalence between Ag d and O p orbitals with the strong electron correlation of their antibonding orbital similar to the copper oxide high-temperature superconductors, but stronger covalency and slightly smaller correlation strength. We examine AgO with =Sr and Ba and =F, I and Cl in detail. Among them, SrAgOF has the largest effective onsite Coulomb repulsion and shows an antiferromagnetic insulating ground state, which competes with correlated metals. It offers features both similar and distinct from the copper oxides, and paves a new route. The possibility of superconductivity in doped systems is discussed.
Keywords
Cite
@article{arxiv.2207.12595,
title = {$Ab$ $initio$ material design of Ag-based oxides for high-$T_c$ superconductor},
author = {Motoaki Hirayama and Michael Thobias Schmid and Terumasa Tadano and Takahiro Misawa and Masatoshi Imada},
journal= {arXiv preprint arXiv:2207.12595},
year = {2022}
}
Comments
25 pages, 21 figures, and 17 tables