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Optical and elastic properties of diamond-like carbon with metallic inclusions: A theoretical study
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Image of FIG. 1.
FIG. 1.

Examples of model bulk structures of (a) metal-free and [(b), (c), and (d)] metal (Me)-containing DLC: (a) 100% sp3-bonded DLC, [(b) and (c)] 1.5 at. % Me-DLC and (d) 3.0 at. % Me-DLC. Gray-, black- and red-shaded atoms represent sp3-bonded (four-fold coordinated) C, sp2-bonded (three-fold coordinated) C, and metallic inclusions, respectively.

Image of FIG. 2.
FIG. 2.

Change in the sp3-bonded C, , as a function of the metal concentration [Me] in Ag- (green) and Cu- (red) containing DLC. The slope of the approximate linear fit to the results corresponds to 6.9% decrease in sp3-bonded C for 1% increase in metal content.

Image of FIG. 3.
FIG. 3.

(a) Density of states of a fully sp3-bonded (red curve), and 83% sp3-bonded, Ag-containing (1.5 at. %) diamond-like carbon (green, shaded curve). (b) Degree of electronic state localization. Localization of signifies an extended wavefunction, whereas corresponds to a wavefunction that is localized on a single atom. The black and green lines correspond to all atoms and Ag only. The red dashed line marks the middle of the gap.

Image of FIG. 4.
FIG. 4.

Absorption coefficient for metal-free (black line), and Al- (dashed line), Cu- and Ag- (solid lines) containing DLC. Different colors correspond to different content in sp3-bonded C (indicated as percentage on top of each family of curves) and metal. The peak of the solar spectrum ( = 550 nm) is marked with a vertical green, dashed line.

Image of FIG. 5.
FIG. 5.

(a) Bulk K and (b) Young's Y modulus of metal-free (gray), and Ag- (red) and Cu- (green) containing DLC. Different symbols mark different content in sp3-bonded C in the unmodified (metal-free) DLC. A linear relationship describes the correlation between the content in sp3-bonded C and the elastic moduli.


Generic image for table
Table I.

Absorption coefficient of metal-free ([Me] = 0) and Al-, Cu- and Ag-containing ([Me] = 1.5, 3.0 at. %) diamond-like carbon for the wavelength of 550 nm.


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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Optical and elastic properties of diamond-like carbon with metallic inclusions: A theoretical study