The Role of Intrinsic Defects in the Structural Transition of Superconducting La3Ni2O7: A Many-Body DMC Prediction
The pressure-induced structural phase transitions of the superconducting Ruddlesden–Popper nickelate La3Ni2O7 remain under active debate. While the Amam phase is generally identified as the non-superconducting ambient-pressure structure, several higher-symmetry phases have been proposed to emerge under compression; the...