HAL (France)
open access
Complete phase diagram of rare-earth nickelates from first-principles
Abstract The structural, electronic and magnetic properties of AM O 3 perovskite oxides, where M is a 3 d transition metal, are highly sensitive to the geometry of the bonds between the metal- d and oxygen- p ions (through octahedra rotations and distortions) and to their level of covalence. This is
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