Metal-containing amorphous carbon (a-C:Ag) and AlN (AlN:Ag) metallo-dielectric nanocomposites

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

“…2 suggests that the carbon matrix will be fully graphitized at metal concentrations of 8-12%. This limit is consistent with experiment, 18,44 but any extrapolation out of the range of the calculated results should be treated with caution. We note that the trends in the graphitization for our model DLC composites with Ag and Cu are indistinguishable from each other (see Fig.…”

“…For example, we would expect a different trend (that is, a less steep slope), if the metallic inclusions were clustered instead of well dispersed in the host material. Our model follows closely the trend observed in experiment 18 where Ag-DLC composites of Ag concentrations up to $8% were prepared with pulsed laser deposition, and the observed result is a decrease of $8.5% in sp 3 -bonded C for 1 at. % increase in metal content.…”

“…Experiment has demonstrated that increasing metal concentration in Me-DLC induces the progressive graphitization of the carbon matrix. 18,44 Me-DLC films are prepared with metal nano-inclusions whose mean size is typically < 10 Å . 17,18 To relate our theoretical study to experiment, we examine the nature of the DLC/Me interface.…”

“…For instance, the performance of a-C can be tuned with the incorporation of transition metal in the material, such as Ag, Cu, or Ti nanoparticles: 11,[13][14][15][16][17][18][19][20][21] for metal-containing DLC, the carbon matrix provides high mechanical strength and the metallic inclusion enhances optical absorption. The structure and properties of the composite generally depend on the preparation technique and the deposition conditions, 6,8 which make the identification of universal structure-property relationships a challenging task.…”

“…12,18,[24][25][26][27][28] Studies of metal (Me)-containing DLC composites, in particular, are currently limited by the complexity of the structures involved and the computational challenges they present. 18 Here, we use density functional theory (DFT) calculations to study the structural, electronic, optical, and elastic properties of model bulk structures of Me-DLC, namely, Ag-DLC and Cu-DLC. The performance of the composites regarding their use as absorber coatings is evaluated with respect to optical efficiency and mechanical stability.…”