By comparing isostructural LaNiO2 and CaCuO2, we find important similarities and important differences in their electronic structures.
Significance and Impact
The contrast between cuprates and nickelates gives important insights into the origin of high temperature superconductivity.
- We performed both LDA and LDA+U calculations, along with a Wannier analysis, to derive relevant electronic structure parameters.
- We find that the 3 d-2p splitting is 1.7 eV larger in the nickelate, but we also find that the near neighbor and longer range hoppings are comparable, as well as the Jahn-Teller splitting of the x2-y2 and 3z2-r2 orbitals.
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