Journal
APPLIED PHYSICS LETTERS
Volume 101, Issue 20, Pages -Publisher
AIP Publishing
DOI: 10.1063/1.4766167
Keywords
absorption coefficients; density functional theory; magnesium; sputter deposition; thermo-optical effects; thin films; vanadium compounds; visible spectra
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Funding
- Swedish Research Council (VR)
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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 < <(h)over bar>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. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4766167]
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