Structural transitions, octahedral rotations, and electronic properties of $A_3$Ni${}_2$O${}_7$ rare-earth nickelates under high pressure

Benjamin Geisler, James J. Hamlin, Gregory R. Stewart +2

Motivated by the recent observation of superconductivity with $T_c\sim 80$ K in pressurized La3Ni2O7 [Nature 621, 493 (2023)], we explore the structural and electronic properties…