Similarities and Differences between LaNiO2 and CaCuO2 and Implications for Superconductivity
A. S. Botana, M. R. Norman
DOI 10.1103/PhysRevX.10.011024 · Physical Review X
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Abstract
The recent observation of superconductivity in hole-doped NdNiO2 has generated considerable attention. The similarities and differences between this infinite-layer nickelates and cuprates are still an open question. To address this issue we derive, via-principles calculations, essential facts related to the electronic structure and magnetism of RNiO2 (R=La, Nd) in comparison to their cuprate analog CaCuO2. From this detailed comparison, we find that RNiO2 are promising as cuprate analogs. Besides the much larger d−p energy splitting, and the presence of R 5d states near the Fermi energy in the parent compound, all other electronic-structure parameters seem to be favorable in the context of superconductivity as inferred from the cuprates. In particular, the large value of the longer-range hopping t′ and the eg energy splitting are similar to those obtained in cuprates. Doping further acts to increase the cupratelike character of these nickelates by suppressing the self-doping effect of the R 5d bands.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| NdNiO2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 14.9 | Pressure not reported | onset |
| CaCuO2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 110 | Pressure not reported | unknown |
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