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Theoretical investigation of superconductivity in trilayer square-planar nickelates

机译：三层方形平面镍中超导电性的理论研究

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摘要

The discovery of superconductivity in Sr-doped NdNiO_2 is a crucial breakthrough in the long pursuit for nickel oxide materials with electronic and magnetic properties similar to those of the cuprates. NdNiO_2 is the infinite-layer member of a family of square-planar nickelates with general chemical formula R_(n+1)Ni_nO_(2n+2) (R = La, Pr, Nd, n = 2, 3....∞). In this Rapid Communication, we investigate superconductivity in the trilayer member of this series (R_4Ni_3O_8) using a combination of first-principles and t-J model calculations. R_4Ni_3O_8 compounds resemble cuprates more than RNiO_2 materials in that only Ni-d_(x~2-y~2) 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 R_4Ni_3O_8 compounds is considerably stronger with a maximum gap about four times larger than that in Sr_(0.2)Nd_(0.8)NiO_2.
机译：SR掺杂NdNiO_2中的超导性的发现是具有与铜酸盐类似的电子和磁性的镍氧化物材料的长期追求的关键突破。 ndnio_2是一系列平面平面镍系的无限层构件，具有一般化学式R_（n + 1）Ni_nO_（2n + 2）（r = la，pr，nd，n = 2,3 .... ）。在这种快速通信中，我们使用第一原理和T-J模型计算的组合来研究该系列的三层成员（R_4NI_3O_8）的超导性。 R_4NI_3O_8化合物与RNIO_2材料类似于RNIO_2的材料，因为只有Ni-D_（x〜2-y〜2）带越过费米水平，它们表现出大量减少的电荷转移能量，并且由于因此超速相互作用显着增强。我们发现掺杂R_4NI_3O_8化合物中的超导不稳定性具有比SR_（0.2）ND_（0.8）NIO_2大的最大间隙大约四倍的最大间隙。

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  • 来源
    《Physical review》 |2020年第2期|020504.1-020504.6|共6页
  • 作者

    Emilian M. Nica; Jyoti Krishna; Rong Yu; Qimiao Si; Antia S. Botana; Onur Erten;

  • 作者单位

    Department of Physics Arizona State University Tempe Arizona 85287-1504 USA;

    Department of Physics Arizona State University Tempe Arizona 85287-1504 USA;

    Department of Physics Renmin University of China 59 Zhongguancun St Beijing 100872 China;

    Department of Physics and Astronomy Rice University 6100 Main St Houston Texas 77005 USA Rice Center for Quantum Materials Rice University 6100 Main St Houston Texas 77005 USA;

    Department of Physics Arizona State University Tempe Arizona 85287-1504 USA;

    Department of Physics Arizona State University Tempe Arizona 85287-1504 USA;

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