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Structure and electronic properties of conducting, ternary films
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View: Figures


Image of FIG. 1.
FIG. 1.

The lattice constants of as-grown films, along with results from GGA and LSDA calculations. The stress-free values from Ref. 13 and the line of Vegard’s rule (solid line) are also shown for comparison.

Image of FIG. 2.
FIG. 2.

Calculated total energy curves for TiN, TaN, and various compounds using GGA.

Image of FIG. 3.
FIG. 3.

Electronic density of states for the . Zero energy stands for the Fermi level and is denoted by vertical, dotted, black lines.

Image of FIG. 4.
FIG. 4.

Total valence charge density in the (001) plane: (a) TaN, (b) , (c) , (d) , and (e) TiN. Red (blue) indicates electron loss (gain).

Image of FIG. 5.
FIG. 5.

The dielectric function spectra of TiN, TaN, and various determined by LAPW. The inset shows details of around the principal absorptions, which have been observed in the experimental spectra.

Image of FIG. 6.
FIG. 6.

(a) Experimental (symbols) and fitted with Eq. (2) optical reflectance spectra for the various films, and (b) experimental (symbols) and fitted (lines) SE spectra from an as-grown film.

Image of FIG. 7.
FIG. 7.

The variation in the plasma energy in calculated by LAPW (open triangles) and determined from ORS and SE data for samples grown by various techniques and determined using fits with Eq. (2) combining a Drude and one (DL) or two (D2L) Lorentz oscillators. (The straight lines are guides to the eyes).

Image of FIG. 8.
FIG. 8.

The variation in the Drude broadening in determined from LAPW (triangles, magnified ×10) and ORS data for samples grown by PLD using a Drude term and one (squares) or two (circles) Lorentz oscillators for the fits.

Image of FIG. 9.
FIG. 9.

The spectral positions of the experimental Lorentz oscillators, which are assigned to the main electronic transitions manifested in the experimental spectral range.

Image of FIG. 10.
FIG. 10.

The variation in the resistivity of , determined from the optical data through Eq. (7) for various samples.


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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Structure and electronic properties of conducting, ternary TixTa1−xN films