Optical properties of Mg-doped VO{sub 2}: Absorption measurements and hybrid functional calculations
- Department of Chemistry, Angstroem Laboratory, Uppsala University, P.O. Box 538, SE-75121 Uppsala (Sweden)
- Department of Engineering Sciences, Angstroem Laboratory, Uppsala University, P.O. Box 534, SE-75121 Uppsala (Sweden)
- Department of Physics and Astronomy, Angstroem Laboratory, Uppsala University, P.O. Box 516, SE-75120 Uppsala (Sweden)
Mg-doped VO{sub 2} thin films with thermochromic properties were made by reactive DC magnetron co-sputtering onto heated substrates, and spectral absorption was recorded at room temperature in the 0.5 < h{omega} < 3.5 eV energy range. Clear evidence was found for a widening of the main band gap from 1.67 to 2.32 eV as the Mg/(V + Mg) atomic ratio went from zero to 0.19, thereby significantly lowering the luminous absorption. This technologically important effect could be reconciled with spin-polarized density functional theory calculations using the Heyd-Scuseria-Ernzerhof [Heyd et al., J. Chem. Phys. 118, 8207 (2003); ibid. 124, 219906 (2006)] hybrid functional. Specifically, the calculated luminous absorptance decreased when the Mg/(V + Mg) ratio was increased from 0.125 to 0.250.
- OSTI ID:
- 22089510
- Journal Information:
- Applied Physics Letters, Vol. 101, Issue 20; Other Information: (c) 2012 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); ISSN 0003-6951
- Country of Publication:
- United States
- Language:
- English
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