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Optical properties, structural parameters, and bonding of highly textured rocksalt tantalum nitride films
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Image of FIG. 1.
FIG. 1.

Differential in situ AES spectra from a film; the [N]/[Ta] ratio has been determined from the relative intensities of the and peaks (the intensity of the is doubled).

Image of FIG. 2.
FIG. 2.

XRD patterns of a textured film; the inset shows a tilt- scan for the {111} planes family, demonstrating the [111] fiber axis.

Image of FIG. 3.
FIG. 3.

plots for the as-grown and annealed TaN samples; the intersection of the two lines corresponds to the stress-free lattice parameter .

Image of FIG. 4.
FIG. 4.

Total energy of calculated using the GGA (circles) and LSDA (triangles) methods.

Image of FIG. 5.
FIG. 5.

XRR scan from a /Si(100) film and the corresponding Parratt fit; the inset shows the details around the critical angle.

Image of FIG. 6.
FIG. 6.

The experimental (solid circles) and the fitted (solid lines) real and the imaginary parts of the dielectric function of a film. The individual contributions of the Drude (D) term and the two Lorentz oscillators are also presented.

Image of FIG. 7.
FIG. 7.

(a) EDOS for ; the electrical conductivity originates predominantly from the band that intercepts the Fermi level (vertical dotted line). (b) Total valence charge density of . Red (blue) indicates positive (negative) values. (c) The wave functions of electrons at the point and in the second energy region (see text), where the bonds take place.

Image of FIG. 8.
FIG. 8.

Dielectric function spectra (real and imaginary ) calculated from the JDOS and Kramers–Kronig integration for ( structure). The black arrows indicate the assignment of the peaks.

Image of FIG. 9.
FIG. 9.

Dielectric function spectra of : experimental raw data (dotted lines, experimental) after the MG-EMT correction (dashed lines) and computational spectra (solid lines). The inset shows details of from the region of strong intraband absorption for simulations using Eq. (1) for various values of (in eV) in comparison to the DFT data.


Generic image for table
Table I.

The main properties of as determined in this work and in comparison with literature data.


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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Optical properties, structural parameters, and bonding of highly textured rocksalt tantalum nitride films