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Temperature dependent optical properties of silver from spectroscopic ellipsometry and density functional theory calculations
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View: Figures


Image of FIG. 1.
FIG. 1.

A representative typical fitting of microstructure parameters using BEMA is shown for measurement carried out at room temperature. Filled symbols are the experimental data while the hollow symbols are from the fitting to the data.

Image of FIG. 2.
FIG. 2.

Thickness of surface roughness, its void fraction, and void fraction in Ag+ voids layer computed from BEMA analysis for all measurement temperatures.

Image of FIG. 3.
FIG. 3.

Real ( ) and imaginary ( ) parts of the dielectric function as a function of incident energy shown for 300 K (experimental and DFT calculated). The rising edge at ∼3.25 eV in the calculated data is due to the interband transition at the L edge.

Image of FIG. 4.
FIG. 4.

Temperature dependence of the measured (a) and (b) as a function of incident energy E.

Image of FIG. 5.
FIG. 5.

(a) Total and orbital decomposed DOS for Ag atom. Only the -orbitals contribute to the DOS at Fermi level significantly. Inset shows the DOS in the vicinity of Fermi level. We see that the , , and orbitals contribute to the DOS at E. (b) Changes in total DOS with respect to the temperature. Data for 0 K and 600 K are shown. Very small changes are observed in the DOS near the Fermi level.

Image of FIG. 6.
FIG. 6.

Band structure of Ag at 0 K (black solid lines) and 600 K (red solid lines). It is seen clearly that all bands shift downwards as the temperature increases, leading to the shifts observed in optical transitions near the L edge.

Image of FIG. 7.
FIG. 7.

Real and imaginary parts of the calculated (DFT) dielectric constant versus energy for 0 K, 300 K, 400 K, 500 K, and 600 K. (a) Shows the dielectric behavior without taking intra-band contributions into account and (b) shows the behavior when we take intra-band contributions into account. The character of the real part changes fully due to the exponential increase in absorption at lower energies. We have used a scissors operator of 0.35 eV for matching the calculated optical behavior with the experiments.

Image of FIG. 8.
FIG. 8.

Variation of onset of composite interband transition with temperature T.

Image of FIG. 9.
FIG. 9.

Plot of − with . The continuous lines are the linear fitting as per Eq. (5) .

Image of FIG. 10.
FIG. 10.

Behavior of with temperature. Inset shows the variation of with void fraction in silver layer.

Image of FIG. 11.
FIG. 11.

Dependence of 1/ with fitted based on Eq. (7) shown for two representative measurements (300 K and 650 K).

Image of FIG. 12.
FIG. 12.

Behavior of 1/ and with temperature.

Image of FIG. 13.
FIG. 13.

ELF as a function of energy calculated from the experimentally obtained and for different temperatures.

Image of FIG. 14.
FIG. 14.

Variation of experimentally obtained ELF peak, and onset of transition with T.

Image of FIG. 15.
FIG. 15.

Calculated (FP-LAPW) ELF at various temperatures taking the intra-band contributions into account.


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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Temperature dependent optical properties of silver from spectroscopic ellipsometry and density functional theory calculations