Related papers: Electronic instability, layer selectivity and Ferm…

High temperature superconductivity was recently found in the bilayer nickelate $\rm{La}_3 \rm{Ni}_2 \rm{O}_7$ (La327), followed by the discovery of superconductivity in the trilayer $\rm{La}_4 \rm{Ni}_3 \rm{O}_{10}$ (La4310), under high…

Topological metals possess various types of symmetry-protected degenerate band crossings. When a topological metal becomes superconducting, the low-energy electronic excitations stemming from the band crossings located close to the Fermi…

We investigate the pairing symmetry in the novel superconductor La$_3$Ni$_2$O$_7$ under pressure by the non-perturbative variational quantum Monte Carlo. Within the bilayer Hubbard model and extended $t-J$ model with two orbitals in the…

Motivated by the recent observation of superconductivity with $T_c \sim 80$ K in pressurized La3Ni2O7 [Nature 621, 493 (2023)], we explore the structural and electronic properties in A3Ni2O7 bilayer nickelates (A=La-Lu, Y, Sc) as a function…

Trilayer Ruddlesden-Popper phase La4Ni3O10 has been observed with Tc of about 30 K at high pressure in recent experiment, which further expanded the family of nickelate superconductors. In this study, we explored the effects of electronic…

Research on nickel-based superconductors has progressed from infinite-layer LaNiO$_2$ to finite-layer La$_{6}$Ni$_{5}$O$_{12}$, and most recently to the Ruddlesden-Popper phase La$_3$Ni$_2$O$_7$, which was found to exhibits onset of…

The interplay of multiorbital physics and nonlocal self-energy effects is studied within an effective three-orbital model for the high-pressure normal state of superconducting bilayer nickelate La$_3$Ni$_2$O$_7$. The model is solved within…

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.…

The electronic energy structures and magnetic properties of layered superconductors $R$Ni$_2$B$_2$C, $R$Fe$_4$Al$_8$ and FeSe are systematically studied, by using the density functional theory (DFT). The calculations allowed us to reveal a…

Electronic structures of a superconductor without inversion symmetry, LaPdSi3, and its non-superconducting counterpart, LaPdGe3, have been calculated employing the full-potential local-orbital method within the density functional theory.…

The recent discovery of superconductivity in Ruddlesden-Popper bilayer nickelate, specifically La$_3$Ni$_2$O$_7$, has generated significant interest in the exploration of high-temperature superconductivity within this material family. In…

Dimensionality control in the LaNiO3 (LNO) heterostructure has attracted attention due to its two-dimensional (2D) electronic structure was predicted to have an orbital ordered insulating ground state, analogous to that of the parent…

The recently discovered high-$T_c$ superconductivity in La$_{3}$Ni$_{2}$O$_{7}$ with $T_c \approx 80K$ provides another intriguing platform to explore the microscopic mechanism of unconventional superconductivity. In this work, we study a…

Superconducting electrides have attracted growing attention for their potential to achieve high superconducting transition temperatures (TC) under pressure. However, many known electrides are chemically reactive and unstable, making…

Using the DFT+dynamical mean-field theory approach we study the effects of electronic correlations and doping on the normal state electronic structure of the double-layer nickelate superconductor La$_3$Ni$_2$O$_7$ under pressure. In…

Locally noncentrosymmetric structures in crystals are attracting much attention owing to emergent phenomena associated with the sublattice degree of freedom. The newly discovered heavy fermion superconductor CeRh$_2$As$_2$ is considered to…

Superconductivity in the bilayer nickelate La$_3$Ni$_2$O$_7$ occurs when the interlayer Ni-O-Ni bond angle becomes straight under pressure, suggesting a strong relationship between the crystal structure and the emergence of…

Motivated by the recent discovery of superconductivity in the iron-based ladder compound BaFe$_2$S$_3$ under high pressure, we derive low-energy effective Hamiltonians from first principles. We show that the complex band structure around…

The electronic structure of pure niobium and the niobium-titanium alloy Nb$_{0.44}$Ti$_{0.56}$ in the bcc-phase at pressures up to $250$ GPa is investigated, to reveal possible factors conducing toward the robust superconductivity reported…

In the series R2PdSi3, Nd2PdSi3 is an anomalous compound in the sense that it exhibits ferromagnetic order unlike other members in this family. The magnetic ordering temperature is also unusually high compared to the expected value for a…