Recently discovered superconductivity in hole-doped nickelate ${\mathrm{Nd}}_{0.8}{\mathrm{Sr}}_{0.2}{\mathrm{NiO}}_2$ 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 ${\mathrm{NdNiS}}_2$ 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 ${\mathrm{NdNiS}}_2$ with ${\mathrm{CaCuO}}_2$ and ${\mathrm{NdNiO}}_2$ 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.

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• Electronic structure
• Impurities in superconductors
• Superconducting phase transition
• Cuprates
• High-temperature superconductors
• Density functional calculations
• Exact solutions for many-body systems
• First-principles calculations
• Methods in superconductivity