Materials design using correlated oxides: Optical properties of vanadium dioxideJ. M Tomczak1, 2 and S. Biermann3, 2
1 Research Institute for Computational Sciences, AIST - Tsukuba, 305-8568 Japan
2 Japan Science and Technology Agency, CREST - Kawaguchi, Japan
3 Centre de Physique Théorique, Ecole Polytechnique, CNRS - 91128 Palaiseau Cedex, France, EU
received 19 January 2009; accepted in final form 9 April 2009; published May 2009
published online 13 May 2009
Materials with strong electronic Coulomb interactions play an increasing role in modern materials applications. “Thermochromic” systems, that 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 that selectively filter radiative heat in hot weather conditions. In this work, we develop the theoretical tools for describing such a behaviour. 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.
71.27.+a - Strongly correlated electron systems; heavy fermions.
71.30.+h - Metalinsulator transitions and other electronic transitions.
78.20.-e - Optical properties of bulk materials and thin films.
© EPLA 2009