Efficient computational screening of strongly correlated materials: Multiorbital phenomenology within the ghost Gutzwiller approximation

Abstract

Leveraging strong electronic correlations for device design hinges on an accurate theoretical description of their optoelectronic properties. Unfortunately, this requires numerically expensive tools, precluding an effective search for material candidates. The recent ghost Gutzwiller approximation promises a possible solution to this challenge, providing remarkable spectral accuracy despite its comparatively simple algorithmic ingredients. Here, the authors show how this method successfully captures strong correlation phenomenologies of multiorbital systems in excellent agreement with the established dynamical mean-field theory at a fraction of computational cost.

Topics & Concepts