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Two-band model for magnetism and superconductivity in nickelates

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 Added by Lun-Hui Hu
 Publication date 2019
  fields Physics
and research's language is English




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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.

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In this paper we study the effects of hybridization in the superconducting properties of a two-band system. We consider the cases that these bands are formed by electronic orbitals with angular momentum, such that, the hybridization $V(mathbf{k})$ among them can be symmetric or antisymmetric under inversion symmetry. We take into account only intra-band attractive interactions in the two bands and investigate the appearance of an induced inter-band pairing gap. We show that (inter-band) superconducting orderings are induced in the total absence of attractive interaction between the two bands, which turns out to be completely dependent on the hybridization between them. For the case of antisymmetric hybridization we show that the induced inter-band superconductivity has a p-wave symmetry.
We provide and analyze a periodic Anderson model for studying magnetism and superconductivity in UTe$_2$, a recently-discovered candidate for a topological spin-triplet superconductor. The 24-band tight-binding model reproduces the band structure obtained from a DFT$+U$ calculation consistent with an angle-resolved photoemission spectroscopy. The Coulomb interaction of $f$-electrons enhances Ising ferromagnetic fluctuation along the $a$-axis and stabilizes spin-triplet superconductivity of either $B_{3u}$ or $A_{u}$ symmetry. When effects of pressure are taken into account in hopping integrals, the magnetic fluctuation changes to antiferromagnetic one, and accordingly spin-singlet superconductivity of $A_{g}$ symmetry is stabilized. Based on the results, we propose pressure-temperature and magnetic field-temperature phase diagrams revealing multiple superconducting phases as well as an antiferromagnetic phase. In particular, a mixed-parity superconducting state with spontaneous inversion symmetry breaking is predicted.
In the present study, we explore superconductivity in NdNiO$_2$ and LaNiO$_2$ employing a first-principles derived low-energy model Hamiltonian, consisting of two orbitals: Ni $x^{2}$-$y^{2}$, and an {it axial} orbital. The {it axial} orbital is constructed out of Nd/La $d$, Ni 3$z^{2}$-$r^{2}$ and Ni $s$ characters. Calculation of the superconducting pairing symmetry and pairing eigenvalue of the spin-fluctuation mediated pairing interaction underlines the crucial role of inter-orbital Hubbard interaction in superconductivity, which turns out to be orbital-selective. The axial orbital brings in materials dependence in the problem, making NdNiO$_2$ different from LaNiO$_2$, thereby controlling the inter-orbital Hubbard interaction assisted superconductivity.
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 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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