Materials Design using Correlated Oxides: Optical Properties of Vanadium Dioxide

TL;DR

This paper develops theoretical tools to accurately predict the optical properties of correlated oxides like VO2, enabling the design of energy-efficient smart windows based on their thermochromic behavior.

Contribution

It introduces a novel computational scheme for optical conductivity in correlated materials, achieving quantitative agreement with experiments and facilitating materials design.

Findings

Theoretical model matches experimental optical data for VO2.

Demonstrates potential for designing energy-saving thermochromic windows.

Shows that materials design for correlated systems is now feasible.

Abstract

Materials with strong electronic Coulomb interactions play an increasing role in modern materials applications. "Thermochromic" systems, which exhibit thermally induced changes in their optical response, provide a particularly interesting case. The optical switching associated with the metal-insulator transition of vanadium dioxide (VO2), for example, has been proposed for use in "intelligent" windows, which selectively filter radiative heat in hot weather conditions. In this work, we develop the theoretical tools for describing such a behavior. Using a novel scheme for the calculation of the optical conductivity of correlated materials, we obtain quantitative agreement with experiments for both phases of VO2. On the example of an optimized energy-saving window setup, we further demonstrate that theoretical materials design has now come into reach, even for the particularly challenging class of correlated electron systems.