Structural stability, electronic structure, and magnetism of the $d^9$ double infinite-layer La${}_3$Ni${}_2$O${}_5$F under chemical pressure and epitaxial strain

K. Madani, Q. N. Meier, A. Cano

Nickelate materials exhibit rich electronic properties that can be engineered toward cuprate-like regimes through topotactic and mixed-anion chemistry. Using first-principles calcu…