The low-energy electron orbitals of La3Ni2O7 (IMAGE)

Science China Press

The low-energy electron orbitals of La3Ni2O7

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 (a) The low-energy electron orbitals of La3Ni2O7 form symmetric/antisymmetric molecular orbitals under the influence of interlayer coupling. (b) The Mott limit of La3Ni2O7 is described by a molecular Mott insulator corresponding to two antisymmetric molecular orbitals formed by the dx2-y2 (blue) and dz2 (green) orbitals, while the symmetric dx2-y2 orbital (red) contributes the self-doping effect.

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