Two Aspects of the Mott-Hubbard Transition in Cr-doped V_2O_3

TL;DR

This paper investigates the Mott-Hubbard transition in Cr-doped V2O3 using combined bandstructure and dynamical mean field theory, focusing on temperature effects and unique transition characteristics.

Contribution

It highlights two novel aspects of the transition: gap filling with temperature and the absence of effective mass divergence in a specific orbital.

Findings

Mott-Hubbard gap fills as temperature increases

Transition lacks divergence in effective mass for a1g orbital

Results enhance understanding of transition mechanisms in V2O3

Abstract

The combination of bandstructure theory in the local density approximation with dynamical mean field theory was recently successfully applied to V$_2$O$_3$ -- a material which undergoes the f amous Mott-Hubbard metal-insulator transition upon Cr doping. The aim of this sh ort paper is to emphasize two aspects of our recent results: (i) the filling of the Mott-Hubbard gap with increasing temperature, and (ii) the peculiarities of the Mott-Hubbard transition in this system which is not characterized by a diver gence of the effective mass for the $a_{1g}$-orbital.