Related papers: Layer controlled orbital selective Mott transition…
The interplay among orbital-selective Mott physics, Hund's coupling, tunable structural motifs, and Kondo-like scattering establishes a compelling paradigm for understanding and engineering correlated multi-orbital systems, as vividly…
Motivated by the high temperature superconductivity observed in the bilayer nickelate La$_3$Ni$_2$O$_7$ and the spectroscopic evidences of strong electron correlations in this compound, we address the role of its multiorbital electron…
Reduced dimensionality and strong electronic correlations, which are among the most important ingredients for cupratelike high-Tc superconductivity, characterize also the physics of nickelate-based heterostructures. Starting from the…
A combination of density functional and dynamical mean field theory calculations are used to show that the remarkable metal-insulator transition in the rare earth nickelate perovskites arise from a site-selective Mott phase, in which the…
We investigate the evolution of polarized electronic Raman response in trilayer nickelate La$_4$Ni$_3$O$_{10}$, uncovering a systematic reduction of the incoherent electron continuum across the density wave transition in the $A_{1g}$ and…
The recent discovery of superconductivity in La$_3$Ni$_2$O$_7$ raises key questions about its mechanism and the nature of pairing symmetry. This system is believed to be described by a bilayer two-orbital Hubbard model. The considerations…
Superconductivity in nickelates apparently takes place in two different Ni oxidation regimes, namely either for infinite-layer-type compounds close to Ni$^{+}$, or for Ruddlesden-Popper materials close to Ni$^{2+}$. The reduced…
Deterministic control over the periodic geometrical arrangement of the constituent atoms is the backbone of the material properties, that along with the interactions define the electronic and magnetic ground state. Following this notion, a…
The fundamental properties of infinite-layer rare-earth nickelates (RNiO2) are carefully revisited and compared with those of CaCuO2 and RNiO3 perovskites. Combining first-principles and finite-temperature second-principles calculations, we…
The properties of AMO3 perovskite oxides, where M is a 3d transition metal, depend strongly on the level of covalency between the metal d and oxygen p orbitals. With their complex spin orders and metal-insulator transition, rare-earth…
In this paper we investigate the electronic and superconducting properties in nickelate compounds of NiO2 through Perturbative Density Functional Theory (P-DFT) and multi-band BCS theory. We consider three different cases of study (i) the…
While defects such as oxygen vacancies in correlated materials can modify their electronic properties dramatically, understanding the microscopic origin of electronic correlations in materials with defects has been elusive. Lanthanum…
First-order structural phase transition is a common phenomenon in materials that qualitatively alters their physical properties. Yet, the abrupt first-order nature is usually unexplained by realistic computations, implying an omission of…
Fundamental understanding and control of the electronic structure evolution in rare-earth nickelates is a fascinating and meaningful issue, as well as being helpful to understand the mechanism of recently discovered superconductivity. Here…
Motivated by recent Fermi surface and transport measurements on LaNiO3, we study the Mott Metal-Insulator transitions of perovskite nickelates, with the chemical formula RNiO3, where R is a rare-earth ion. We introduce and study a minimal…
The search for oxide materials with physical properties similar to the cuprate high Tc superconductors, but based on alternative transition metals such as nickel, has grown and evolved over time. The recent discovery of superconductivity in…
Recent angle-resolved photoemission measurements on La$_3$Ni$_2$O$_7$ have challenged the density-functional-theory-based picture of three Fermi surfaces by revealing that the $d_{z^2}$-derived $\gamma$ band can reside below the Fermi…
Unraveling the interplay between density-wave (DW) instabilities and multi-orbital physics is critical for understanding superconductivity in Ruddlesden-Popper nickelates, yet intrinsic electronic features have been persistently obscured by…
The microscopic mechanism of the metal-insulator transition is studied by orbital-resolved 51V NMR spectroscopy in a prototype of the quasi-one-dimensional system V6O13. We uncover that the transition involves a site-selective d orbital…
The metal-insulator transition (MIT) of bulk rare-earth nickelates is accompanied by a simultaneous charge ordering (CO) transition. We have investigated low-frequency resistance fluctuations (noise) across the MIT and magnetic transition…