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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 ($T_{rm
The origin of high-Tc superconductivity remains an enigma even though tremendous research effort and progress have been made on cuprate and iron pnictide superconductors. Aiming to mimic the cuprate-like electronic configuration of transition metal,
The recently discovered superconductivity in Nd$_{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 simil
We theoretically investigate the unconventional superconductivity in the newly discovered infinite-layer nickelates Nd$_{1-x}$Sr$_{x}$NiO$_{2}$ based on a two-band model. By analyzing the transport experiments, we propose that the doped holes dominan
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 r