Related papers: Electronic properties of nickelate superconductor …
The recent discovery of superconductivity in La$_3$Ni$_2$O$_7$ and La$_4$Ni$_3$O$_{10}$ under high pressure stimulates intensive research interests. These nickelates crystallize in an orthogonal/monoclinic structure with tilted NiO$_6$…
Inspired by a recently proposed superconducting mechanism for a new cuprate superconductor Ba$_2$CuO$_{3+\delta}$, we theoretically design an unconventional nickelate superconductor with $d^8$ electron configuration. Our strategy is to…
The discovery of superconductivity in square-planar low valence nickelates has ignited a vigorous debate regarding their essential electronic properties: Do these materials have appreciable oxygen charge-transfer character akin to the…
Recently, the discovery of superconductivity in Ruddlesden-Popper (RP) $\mathrm{La_4Ni_3O_{10}}$ under pressure has further expanded the realm of nickelate-based superconductor family. In this paper, we performed a first-principle study of…
The recent discovery of superconductivity with a transition temperature $T_c$ exceeding 40 K in La$_3$Ni$_2$O$_7$ and (La,Pr)$_{3}$Ni$_2$O$_7$ thin films at ambient pressure marks a significant breakthrough in the field of nickelate…
The recent discovery of ambient-pressure superconductivity with $T_c$ above 40 K in La$_3$Ni$_2$O$_7$ thin films represents a significant advance in the field of nickelate superconductor. Motivated by the experimental reports, here we study…
The recent discovery of pressure-induced superconductivity in La$_3$Ni$_2$O$_7$ has established a novel platform for studying unconventional superconductors. However, achieving superconductivity in this system currently requires relatively…
Manipulating oxygen vacancies in strongly correlated rare-earth nickelate perovskites (RNiO$_3$) enables the tuning of their elusive metal-insulator transition (MIT), providing a better handle for control over their electronic properties.…
Employing combination of first-principles calculations, low-energy model construction, and variational Monte Carlo solution of the ab-initio derived Hubbard model, we study the effect of hydrogenation in the electronic structure and…
By means of first-principles calculations we study the structural and electronic properties of a superlattice made of Sr2RuO4 and Sr3Ru2O7 ruthenate oxides. Due to the symmetry mismatch of the two systems a significant structural…
Motivated by recent reports of pressure-induced superconductivity in bilayer nickelate La$_3$Ni$_2$O$_7$, we present a comprehensive investigation into the structural, electronic, magnetic, and phonon properties of this compound across a…
The recent discovery of high-temperature superconductivity in La$_3$Ni$_2$O$_7$ under high pressure has stimulated intensive investigations concerning its paring mechanism and a correct description of its effective low-energy physics.…
Motivated by the recently discovered high $T_c$ nickelate superconductor $\mathrm{La_3Ni_2O_7}$, we investigate superconductivity in a two dimensional Hubbard model on square lattice that consists of two layers of hybridizing $d_{x^2-y^2}$…
The precise crystal structure of La3Ni2O7 in its high-pressure superconducting state has been a subject of intense debate, with proposed models including both orthorhombic and tetragonal symmetries. Using high-pressure Raman spectroscopy…
Semiconducting oxides with reducible cations are ideal platforms for various functional applications in nanoelectronics and catalysts. Here we report an ultrathin monolayer alpha-MoO3 where tunable electronic properties and different gas…
Recently, the bilayer perovskite nickelate La$_3$Ni$_2$O$_7$ has been reported to show evidence of high-temperature superconductivity (SC) under a moderate pressure of about 14 GPa. To investigate the superconducting mechanism, pairing…
We report a theoretical study of the effects of electron correlations and structural confinement on the electronic properties and magnetic state of LaNiO3 (LNO) thin films epitaxially deposited on the (001) LaAlO3 (LAO) substrate. Using the…
We utilize the fluctuation-exchange approximation on a bilayer two-orbital model, incorporating $d_{x^2-y^2}$ and $d_{z^2}$ orbitals, to explore potential pairing symmetries in the bilayer nickelate La$_3$Ni$_2$O$_7$. Our study particularly…
The discovery of superconductivity with onset temperature of ~80 K in pressurized bilayer Ruddlesden-Popper La3Ni2O7-d has attracted much attention. Despite intense research, determination of the exact oxygen content and understanding of…
Using \emph{ab initio} band structure and DFT+dynamical mean-field theory methods we examine the effects of electron-electron interactions on the electronic structure, magnetic state, and structural phase stability of the recently…