Proposal to improve Ni-based superconductors via enhanced charge transfer
Zi-Jian Lang (郎子健), Ruoshi Jiang (姜若诗), Wei Ku (顧威)
DOI 10.1103/PhysRevB.105.L100501 · Physical Review B
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Abstract
Recently discovered superconductivity in hole-doped nickelate Nd0.8Sr0.2NiO2 has attracted intensive attention in the field. An immediate question is how to improve its superconducting properties. Guided by the key characteristics of electronic structures of the cuprates and the nickelates, we propose that nickel chalcogenides with a similar lattice structure should be a promising family of materials. Using NdNiS2 as an example, through first-principle structural optimization and phonon calculation, we find this particular crystal structure to be a stable one. We justify our proposal by comparing NdNiS2 with CaCuO2 and NdNiO2 with regard to the strength of the charge-transfer characteristics and the trend in their low-energy many-body effective Hamiltonians of doped hole carriers. This analysis indicates that nickel chalcogenides host low-energy physics closer to that of the cuprates, with stronger magnetic interaction than the nickelates, and thus they deserve further experimental exploration. Our proposal also opens up the possibility of a wide range of parameter tuning through ligand substitution among chalcogenides, to further improve superconducting properties.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| Nd0.8Sr0.2NiO2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | — | Pressure not reported | unknown |
| NdNiO2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 12 | Pressure not reported | unknown |
| CaCuO2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 50 | Pressure not reported | unknown |
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