Materials Design using Correlated Oxides: Optical Properties of Vanadium Dioxide

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.

4+x pages, 2 figures

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Cited by in corpus (20)

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• Effects of strain on the electronic structure of VO_2
• Apical oxygens and correlation strength in electron and hole doped copper oxides
• Optical properties of correlated materials -- Generalized Peierls approach and its application to VO2
• Low-energy models for correlated materials: bandwidth renormalization from Coulombic screening
• Resolving the VO${}_2$ controversy: Mott mechanism dominates the insulator-to-metal transition
• Asymmetric band widening by screened exchange competing with local correlations in SrVO3: new surprises on an old compound from combined GW and dynamical mean field theory GW+DMFT
• Coulomb Correlations in 4d and 5d Oxides from First Principles - or How Spin-Orbit Materials choose their Effective Orbital Degeneracies
• Merging GW with DMFT and non-local correlations beyond
• Rare-Earth vs. Heavy Metal Pigments and their Colors from First Principles
• Optical properties of VO${}_2$ films at the phase transition: influence of substrate and electronic correlations
• Optical Properties of Correlated Materials -- or Why Intelligent Windows may look Dirty
• Augmented hybrid exact-diagonalization solver for dynamical mean field theory
• Low-energy effective Hamiltonians for correlated electron systems beyond density functional theory
• Many-body renormalisation of forces in f-electron materials
• Microscopic nature of the asymmetric hysteresis in the insulator-metal transition of VO${}_2$ revealed by spectroscopic ellipsometry
• Calculating DMFT forces in ab-initio ultrasoft pseudopotential formalism
• Influence of thermal boundary conditions on the current-driven resistive transition in $\mathbf{V}{\mathbf{O}}_2$ microbridges
• Slave rotor approach to dynamically screened Coulomb interactions in solids
• Novel approaches to spectral properties of correlated electron materials: From generalized Kohn-Sham theory to screened exchange dynamical mean field theory