Optical properties of Mg-doped VO2: Absorption measurements and hybrid functional calculations
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- R. Ahuja
- Uppsala University 3 Department of Physics and Astronomy, The Ångström Laboratory, , P.O. Box 516, SE-75120 Uppsala, Sweden
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- C. G. Granqvist
- Uppsala University 2 Department of Engineering Sciences, The Ångström Laboratory, , P.O. Box 534, SE-75121 Uppsala, Sweden
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- K. Hermansson
- Uppsala University 1 Department of Chemistry, The Ångström Laboratory, , P.O. Box 538, SE-75121 Uppsala, Sweden
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- G. A. Niklasson
- Uppsala University 2 Department of Engineering Sciences, The Ångström Laboratory, , P.O. Box 534, SE-75121 Uppsala, Sweden
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- R. H. Scheicher
- Uppsala University 3 Department of Physics and Astronomy, The Ångström Laboratory, , P.O. Box 516, SE-75120 Uppsala, Sweden
抄録
<jats:p>Mg-doped VO2 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 < ħω < 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.</jats:p>
収録刊行物
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- Applied Physics Letters
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Applied Physics Letters 101 (20), 201902-, 2012-11-12
AIP Publishing