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Optical properties of Mg-doped VO2: Absorption measurements and hybrid functional calculations
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2012 (English)In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 101, no 20, 201902- p.Article in journal (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
2012. Vol. 101, no 20, 201902- p.
Keyword [en]
absorption coefficients, density functional theory, magnesium, sputter deposition, thermo-optical effects, thin films, vanadium compounds, visible spectra
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URN: urn:nbn:se:kth:diva-109642DOI: 10.1063/1.4766167ISI: 000311477500009ScopusID: 2-s2.0-84870040408OAI: diva2:585046
Swedish Research Council

QC 20130109

Available from: 2013-01-09 Created: 2013-01-08 Last updated: 2013-01-09Bibliographically approved

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