Intercalating LaXO3 (X=Al,Ga,Sc) into La2NiO4 electron-dopes Ni planes disorder-free, putting La2NiO4:La2AlO4 at optimal filling for d-wave Tc exceeding 50 K.
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DFT+U single-particle eigenvalue gaps match fundamental gaps from total energy differences for perfect crystals but fail for defects and molecules, proven analytically for every published functional variant.
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Heterostructuring as Gateway to Electron Doping of Nickelate Superconductors
Intercalating LaXO3 (X=Al,Ga,Sc) into La2NiO4 electron-dopes Ni planes disorder-free, putting La2NiO4:La2AlO4 at optimal filling for d-wave Tc exceeding 50 K.
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Validity of DFT+U band gaps in all its known functional forms
DFT+U single-particle eigenvalue gaps match fundamental gaps from total energy differences for perfect crystals but fail for defects and molecules, proven analytically for every published functional variant.