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Optical properties of Mg-doped VO2: Absorption measurements and hybrid functional calculations
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Structural Chemistry.
Uppsala University, Disciplinary Domain of Science and Technology, Technology, Department of Engineering Sciences, Solid State Physics.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy.
Uppsala University, Disciplinary Domain of Science and Technology, Technology, Department of Engineering Sciences, Solid State Physics.
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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
American Institute of Physics (AIP), 2012. Vol. 101, no 20, 201902- p.
National Category
Condensed Matter Physics Engineering and Technology Inorganic Chemistry
Research subject
Engineering Science with specialization in Solid State Physics; Chemistry with specialization in Inorganic Chemistry
Identifiers
URN: urn:nbn:se:uu:diva-187522DOI: 10.1063/1.4766167ISI: 000311477500009OAI: oai:DiVA.org:uu-187522DiVA: diva2:575069
Available from: 2012-12-07 Created: 2012-12-07 Last updated: 2017-12-07Bibliographically approved

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