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Register a new userTheoretical investigation of superconductivity in trilayer square-planar nickelates
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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$_n$O$_{2n+2}$ (R = La, Pr, Nd, $n= 2, 3, ... infty$). In this letter, we investigate superconductivity in the trilayer member of this series (R$_4$Ni$_3$O$_8$) using a combination of first-principles and $t-J$ model calculations. R$_4$Ni$_3$O$_8$ 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$_4$Ni$_3$O$_8$ compounds is considerably stronger with a maximum gap about four times larger than that in Sr$_{0.2}$Nd$_{0.8}$NiO$_2$.
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In strongly correlated materials, lattice, charge, spin and orbital degrees of freedom interact with each other, leading to emergent physical properties such as superconductivity, colossal magnetic resistance and metal-insulator transition. Quasi-2D square planar nickelates, Rn+1NinO2n+2 (R=rare earth, n=2, 3...), are of significant interest and long sought for cuprate analogue due to the 3d9 electronic configuration of Ni+, the same as the active ion Cu2+ in the high-Tc superconducting cuprates. The field has attracted intense attention since 2019 due to the discovery of superconductivity in thin films of Nd0.8Sr0.2NiO2, although no superconductivity has been reported in bulk polycrystalline powders. Herein, we review the synthesis of polycrystalline powders of quasi-2D square planar nickelates through topotactic reduction of parent compounds that are synthesized via solid state reaction, precursor method, high pressure floating zone method and high-pressure flux method. We emphasize single crystal preparation using the high-pressure floating zone techniques. We discuss their crystal structure and physical properties including resistivity, magnetic susceptibility and heat capacity. We highlight the cuprate-like physics, including charge/spin stripes and large orbital polarization, identified in single crystals of R4Ni3O8 (R=La and Pr) combining synchrotron X-ray/neutron single crystal diffraction and density functional theory calculations. Furthermore, the challenges and possible research directions of this fast-moving field in the future are briefly discussed.
The recent discovery of the superconductivity in the doped infinite layer nickelates $R$NiO$_2$ ($R$=La, Pr, Nd) is of great interest since the nickelates are isostructural to doped (Ca,Sr)CuO$_2$ having superconducting transition temperature ($T_{rm c}$) of about 110 K. Verifying the commonalities and differences between these oxides will certainly give a new insight into the mechanism of high $T_{rm c}$ superconductivity in correlated electron systems. In this paper, we review experimental and theoretical works on this new superconductor and discuss the future perspectives for the nickel age of superconductivity.
The recently discovered superconductivity in Nd$_{1-x}$Sr$_x$NiO$_2$ provides a new opportunity for studying strongly correlated unconventional superconductivity. The single-hole Ni$^+$ ($3d^9$) configuration in the parent compound NdNiO$_2$ is similar to that of Cu$^{2+}$ in cuprates. We suggest that after doping, the intra-orbital spin-singlet and inter-orbital spin-triplet double-hole (doublon) configurations of Ni$^{2+}$ are competing, and we construct a two-band Hubbard model by including both the $3d_{x^2-y^2}$ and $3d_{xy}$-orbitals. The effective spin-orbital super-exchange model in the undoped case is a variant of the $SU(4)$ Kugel-Khomskii model augmented by symmetry breaking terms. Upon doping, the effective exchange interactions between spin-$frac{1}{2}$ single-holes, spin-1 (triplet) doublons, and singlet doublons are derived. Possible superconducting pairing symmetries are classified in accordance to the $D_{4h}$ crystalline symmetry, and their connections to the superexchange interactions are analyzed.
Employing first-principles density functional theory calculations and Wannierization of the low energy band structure, we analyze the electronic structure of undoped, infinite-layer nickelate compounds, NdNiO$_2$, PrNiO$_2$ and LaNiO$_2$. Our study reveals important role of non-zero $f$-ness of Nd and Pr atoms, as opposed to $f^{0}$ occupancy of La. The non-zero $f$-ness becomes effective in lowering the energy of the rare-earth 5$d$ hybridized axial orbital, thereby enhancing the electron pockets and influencing the Fermi surface topology. The Fermi surface topology of NdNiO$_2$ and PrNiO$_2$ is strikingly similar, while differences are observed for LaNiO$_2$. This difference shows up in computed doping dependent superconducting properties of the three compounds within a weak coupling theory. We find two gap superconductivity for NdNiO$_2$ and PrNiO$_2$, and possibility of a single gap superconductivity for LaNiO$_2$ with the strength of superconductivity suppressed by almost a factor of two, compared to Nd or Pr compound.
We use scanning tunneling microscopy to investigate Bi2Sr2Ca2Cu3O10+{delta} trilayer cuprates from the optimally doped to overdoped regime. We find that the two distinct superconducting gaps from the inner and outer CuO2 planes both decrease rapidly with doping, in sharp contrast to the nearly constant Tc. Spectroscopic imaging reveals the absence of quasiparticle interference in the antinodal region of overdoped samples, showing an opposite trend to that in single- and double-layer compounds. We propose that the existence of two types of inequivalent CuO2 planes and the intricate interaction between them are responsible for these highly anomalous observations in trilayer cuprates.
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