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- W2964227313 abstract "We present evidence that the metal-insulator transition (MIT) in a tensile-strained ${mathrm{NdNiO}}_{3}$ (NNO) film is facilitated by a redistribution of electronic density and that it neither requires Ni charge disproportionation nor a symmetry change [U. Staub et al., Phys. Rev. Lett. 88, 126402 (2002); R. Jaramillo et al., Nat. Phys. 10, 304 (2014)]. Given that epitaxial tensile strain in thin NNO films induces preferential occupancy of the ${e}_{g}$ ${d}_{{mathbit{x}}^{2}ensuremath{-}{mathbit{y}}^{2}}$ orbital we propose that the larger transfer integral of this orbital state with the O $2p$ orbital state mediates a redistribution of electronic density from the Ni atom. A decrease in the Ni ${d}_{{mathbit{x}}^{2}ensuremath{-}{mathbit{y}}^{2}}$ orbital occupation is directly observed by resonant inelastic x-ray scattering below the MIT temperature. Furthermore, an increase in the Nd charge occupancy is measured by x-ray absorption at the Nd ${L}_{3}$ edge. Both spin-orbit coupling and crystal field effects combine to break the degeneracy of the Nd $5d$ states, shifting the energy of the Nd ${e}_{g}$ ${d}_{{mathbit{x}}^{2}ensuremath{-}{mathbit{y}}^{2}}$ orbit towards the Fermi level, allowing the $A$ site to become an active acceptor during the MIT. This work identifies the relocation of electrons from the Ni $3d$ to the Nd $5d$ orbitals across the MIT. We propose that the insulating gap opens between the Ni $3d$ and O $2p$ states, resulting from Ni $3d$ electron localization. The transition seems to be neither a purely Mott-Hubbard transition nor a simple charge transfer." @default.
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- W2964227313 date "2015-07-13" @default.
- W2964227313 modified "2023-09-29" @default.
- W2964227313 title "Novel Electronic Behavior Driving<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi>NdNiO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>Metal-Insulator Transition" @default.
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- W2964227313 doi "https://doi.org/10.1103/physrevlett.115.036401" @default.
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