A Dynamical Mean-field Study of LaNiO$_3$

TL;DR

This study uses dynamical mean-field theory with density functional theory inputs to analyze the metallic properties of LaNiO₃, revealing it as a correlated Fermi liquid and suggesting a pressure-induced transition.

Contribution

It provides a detailed DMFT-based analysis of LaNiO₃'s electronic structure, highlighting its correlated Fermi liquid behavior and potential for a pressure-driven metal-insulator transition.

Findings

LaNiO₃ is a correlated Fermi liquid with enhanced effective mass.

DMFT calculations suggest a possible pressure-driven metal-insulator transition.

LaNiO₃ remains metallic down to low temperatures, unlike other nickelates.

Abstract

While most of the rare-earth nickelates exhibit a temperature-driven sharp metal-insulator transition, LaNiO$_3$ is the only exception remaining metallic down to low temperatures. Using local density approximation as an input to dynamical mean-field calculation, metallic properties of bulk LaNiO$_{3}$ is studied. The DMFT calculations indicate that the system is a correlated Fermi liquid with an enhanced effective mass. The possibility of a pressure-driven metal-insulator transition in the system is also suggested, which can be verified experimentally.