4.6 Article

Theoretical investigation of superconductivity in trilayer square-planar nickelates

期刊

PHYSICAL REVIEW B
卷 102, 期 2, 页码 -

出版社

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.102.020504

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资金

  1. ASU
  2. DOE BES Award [DE-SC0018197]
  3. Robert A. Welch Foundation [C-1411]
  4. [NSF-DMR-1904716]
  5. U.S. Department of Energy (DOE) [DE-SC0018197] Funding Source: U.S. Department of Energy (DOE)

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The discovery of superconductivity in Sr-doped NdNiO2 is a crucial breakthrough in the long pursuit for nickel oxide materials with electronic and magnetic properties similar to those of the cuprates. NdNiO2 is the infinite-layer member of a family of square-planar nickelates with general chemical formula Rn+1NinO2n+2 (R = La, Pr, Nd, n = 2, 3, ... infinity). In this Rapid Communication, we investigate superconductivity in the trilayer member of this series (R4Ni3O8) using a combination of first-principles and t-J model calculations. R4Ni3O8 compounds resemble cuprates more than RNiO2 materials in that only Ni-d(x2-y2) bands cross the Fermi level, they exhibit a largely reduced charge transfer energy, and as a consequence superexchange interactions are significantly enhanced. We find that the superconducting instability in doped R4Ni3O8 compounds is considerably stronger with a maximum gap about four times larger than that in Sra(0.2)Nd(0.8)NiO(2).

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