Related papers: Charge and magnetic orders in a two-band model wit…
In this work, we investigate collective electronic fluctuations and, in particular, the possibility of the charge density wave ordering in an infinite-layer NdNiO$_2$. We perform advanced many-body calculations for the ab-initio…
We report a determinant quantum Monte Carlo study of a two-band model, inspired by infinite-layer nickelates, focusing on the influence of interlayer hybridization between $3d_{x^2-y^2}$ orbitals derived from Ni (or Ni and O) in one layer…
Recent discovery of superconductivity in the doped infinite-layer nickelates has renewed interest in understanding the nature of high-temperature superconductivity more generally. The low-energy electronic structure of the parent compound…
We conducted a comparative study of the rare-earth infinite-layer nickelates films, RNiO2 (R = La, Pr, and Nd) using resonant inelastic X-ray scattering (RIXS). We found that the gross features of the orbital configurations are essentially…
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…
We analyze the charge- and spin response functions of rare-earth nickelates RNiO3 and their heterostructures using random-phase approximation in a two-band Hubbard model. The inter-orbital charge fluctuation is found to be the driving…
The recent observation of superconductivity in infinite-layer nickelates has brought intense debate on the established knowledge of unconventional superconductivity based on the cuprates. Despite many similarities, the nickelates differ…
An effective two-dimensional two-band model for infinite-layer nickelates consists of bands obtained from $d_{x^2-y^2}$ and $s$--like orbitals. We investigate whether it could be mapped onto a single-band Hubbard model and the filling of…
Starting from an effective two-dimensional two-band model for infinite layered nickelates, consisting of bands obtained from $d$ and $s$--like orbitals, we investigate to which extend it can be mapped onto a single-band Hubbard model. We…
A charge order (CO) with a wavevector $\mathbf{q}\simeq\left(\frac{1}{3},0,0\right)$ is observed in infinite-layer nickelates. Here we use first-principles calculations to demonstrate a charge-transfer-driven CO mechanism in infinite-layer…
Superconductivity in infinite-layer nickelates holds exciting analogies with that of cuprates, with similar structures and $3d$-electron count. Using resonant inelastic x-ray scattering (RIXS) we studied electronic and magnetic excitations…
We study magnetism in the electron-doped infinite-layer nickelate NdNiO$_2$. We perform an unrestricted Hartree-Fock calculation for a tight-binding model which contains both nickel and neodymium orbitals. We reproduce the self-doping…
Magnetism and superconductivity are closely entangled, elucidating the magnetic interactions in nickelate superconductors is at the heart of understanding the pairing mechanism. Our first-principles and spin-wave theory calculations…
The recent discovery of superconductivity in infinite-layer nickelates has drawn considerable attention; however, a consensus on the fundamental building blocks and common ingredients necessary to understand and describe their ground states…
In contrast to the cuprates, where the proximity of antiferromagnetism (AFM) and superconductivity is well established, first indications for AFM interactions in superconducting infinite-layer nickelates were only recently obtained. Here,…
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…
The study of magnetism in two-dimensional materials has garnered significant interest, driven by fundamental investigations into low-dimensional magnetic phenomena and their potential for applications in spintronic devices. Through…
We study a model of two concentric onedimensional rings with incommensurate areas $A_1$ and $A_2$, in a constant magnetic field. The two rings are coupled by a nonhomogeneous inter-ring tunneling amplitude, which makes the one-particle…
The electronic structure of Nickel dichalcogenides, NiS$_2$ and NiSe$_2$, in monolayer form, is studied employing first-principles methods. We assess the importance of band ordering, covalency and Coulomb interactions in the ground state of…
In materials science, much effort has been devoted to reproduce superconductivity in chemical compositions analogous to cuprate superconductors since their discovery over thirty years ago. This approach was recently successful in realising…