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Optical properties of Mg-doped VO2: Absorption measurements and hybrid functional calculations
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10.1063/1.4766167
/content/aip/journal/apl/101/20/10.1063/1.4766167
http://aip.metastore.ingenta.com/content/aip/journal/apl/101/20/10.1063/1.4766167
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

(a) Experimental and (b) calculated (αħω)½ vs photon energy ħω,where α is absorption coefficient, for Mg-doped VO2 with the shown Mg/(V + Mg) atomic ratios. The shaded bell-shaped region signifies relative luminous efficiency of the eye (Ref. 12).

Image of FIG. 2.
FIG. 2.

Schematic band structure for monoclinic, semiconducting VO2 according to Goodenough (Ref. 13). EF denotes Fermi level.

Image of FIG. 3.
FIG. 3.

Optimized structure for Mg-doped VO2 with Mg/(V + Mg) = 0.125, as obtained from calculations using the HSE functional. The figure shows the contents of the 2 × 1 × 1 supercell plus some additional atoms from a neighboring supercell. V–V separations are given in nanometers.

Image of FIG. 4.
FIG. 4.

Total and partial density of states (DOS) for V and O calculated by use of the HSE functional for Mg-doped VO2 with the Mg/(V + Mg) atomic ratio (a) 0.125 and (b) 0.25. Characters of the bands are noted, as are the band gaps. EF denotes Fermi energy and f.u. means formula unit.

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/content/aip/journal/apl/101/20/10.1063/1.4766167
2012-11-13
2014-04-21
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Optical properties of Mg-doped VO2: Absorption measurements and hybrid functional calculations
http://aip.metastore.ingenta.com/content/aip/journal/apl/101/20/10.1063/1.4766167
10.1063/1.4766167
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