The Tauc–Lorentz–Urbach (TLU) dispersion model allows us to build a dielectric function from only a few parameters. However, this dielectric function is non-analytic and presents some mathematical drawbacks. As a consequence of this issue, the model becomes inaccurate. In the present work, we will adopt a procedure to conveniently transform the TLU model into a self-consistent dispersion model. The transformation involves the integration of the original TLU imaginary dielectric function ${ϵ}_2$ by using a Lorentzian-type function of semi-width, $\Gamma$. This novel model is analytic and obeys the other necessary mathematical requirements of the optical constants of solid-state materials. The main difference with the non-analytic TLU model occurs at values of the photon energy near or lower than that of the bandgap energy (within the Urbach absorption region). In particular, this new model allows us to reliably extend the optical characterization of amorphous-semiconductor thin films within the limit to zero photon energy. To the best of our knowledge, this is the first time that the analytic TLU model has been successfully used to accurately determine the optical constants of unhydrogenated a-Si films using only their normal-incidence transmission spectra.

Several, nearly-1-µ$\mathrm{m}$-thick, pure, unhydrogenated amorphous-silicon (a-Si) thin layers were grown at high rates by non-equilibrium rf-magnetron Ar-plasma sputtering (RFMS) onto room-temperature low-cost glass substrates. A new approach is employed for the optical characterization of the thin-layer samples, which is based on some new formulae for the normal-incidence transmission of such a samples and on the adoption of the inverse-synthesis method, by using a devised Matlab GUI environment. The so-far existing limiting value of the thickness-non-uniformity parameter, $\Delta d$, when optically characterizing wedge-shaped layers, has been suppressed with the introduction of the appropriate corrections in the expression of transmittance. The optical responses of the H-free RFMS-a-Si thin films investigated, were successfully parameterized using a single, Kramers–Krönig (KK)-consistent, Tauc–Lorentz oscillator model, with the inclusion in the model of the Urbach tail (TLUC), in the present case of non-hydrogenated a-Si films. We have also employed the Wemple–DiDomenico (WDD) single-oscillator model to calculate the two WDD dispersion parameters, dispersion energy, $E_{\mathrm{d}}$, and oscillator energy, $E_{\mathrm{so}}$. The amorphous-to-crystalline mass-density ratio in the expression for $E_{\mathrm{d}}$ suggested by Wemple and DiDomenico is the key factor in understanding the refractive index behavior of the a-Si layers under study. The value of the porosity for the specific rf-magnetron sputtering deposition conditions employed in this work, with an Ar-pressure of ~4.4 Pa, is found to be approximately 21%. Additionally, it must be concluded that the adopted TLUC parameterization is highly accurate for the evaluation of the UV/visible/NIR transmittance measurements, on the H-free a-Si investigated. Finally, the performed experiments are needed to have more confidence of quick and accurate optical-characterizations techniques, in order to find new applications of a-Si layers in optics and optoelectronics.

Three As_xTe_100−x films with different x and dissimilar average thickness $\overline{\mathrm{d}}$ are characterized mainly from one interference transmittance spectrum T(λ = 300 to 3000 nm) of such film on a substrate based on the advanced optimizing envelope method (AOEM). A simple dual transformation of T(λ) is proposed and used for increasing the accuracy of computation of its envelopes T₊(λ) and T₋(λ) accounting for the significant glass substrate absorption especially for λ > 2500 nm. The refractive index n(λ) of As₄₀Te₆₀ and As₉₈Te₂ films is determined with a relative error 300 nm on a substrate, compared to all the other methods for characterization of such films only from T(λ).

The accuracy of the popular graphical method of Swanepoel (SGM) for the characterization of a thin film on a substrate specimen from its interference transmittance spectrum depends on the subjective choice of four characterization parameters: the slope of the graph, the order number for the longest wavelength extremum, and the two numbers of the extrema used for the calculation approximations of the average film thickness. Here, an error metric is introduced for estimating the accuracy of SGM characterization. An algorithm is proposed for the optimization of SGM, named the OGM algorithm, based on the minimization of this error metric. Its execution provides optimized values of the four characterization parameters, and the respective computation of the most accurate film characteristics achievable within the framework of SGM. Moreover, substrate absorption is accounted for, unlike in the classical SGM, which is beneficial when using modern UV/visible/NIR spectrophotometers due to the relatively larger amount of absorption in the commonly used glass substrates for wavelengths above 1700 nm. A significant increase in the accuracy of the film characteristics is obtained employing the OGM algorithm compared to the SGM algorithm for two model specimens. Such improvements in accuracy increase with increasing film absorption. The results of the film characterization by the OGM algorithm are presented for two specimens containing RF-magnetron-sputtered a -Si films with disparate film thicknesses. The computed average film thicknesses are within 1.1% of the respective film thicknesses measured by SEM for both films. Achieving such high film characterization accuracy is particularly significant for the film with a computed average thickness of 3934 nm, since we are not aware of any other film with such a large thickness that has been characterized by SGM.

The Swanepoel method is a widely used optical technique for characterizing thin films through normal-incidence transmission measurements. A critical step in this approach involves extracting the upper and lower envelopes of the measured oscillatory spectrum. By analyzing the transmission spectrum and its corresponding envelopes, the Swanepoel procedure enables precise determination of the film refractive index and extinction coefficient. However, even minor inaccuracies in envelope construction can propagate significant errors into the final characterization results. To address this challenge, we present what we believe to be a novel physics-informed optimization algorithm for envelope detection. Our mathematical model reformulates the envelope detection problem as a global optimization task that enforces the physical properties of the Swanepoel envelopes. Extensive validation on fifty randomly generated transmission spectra demonstrates unprecedented accuracy: the method achieves root-mean-square errors (RMSE) below 0.10% for the upper envelope and 0.06% for the lower envelope (more than doubling the accuracy of current state-of-the-art approaches). Furthermore, the proposed model has been assessed with two experimental transmission spectra, demonstrating its robustness and accuracy with real noisy data. We have developed an open-source Python software package (see text below). This software includes not only our innovative envelope construction algorithm but also additional envelope drawing algorithms for comparison and an efficient implementation of the Swanepoel method, enabling complete optical characterization of thin films.

Three means are investigated for further increasing the accuracy of the characterization of a thin film on a substrate, from the transmittance spectrum T(λ) of the specimen, based on the envelope method. Firstly, it is demonstrated that the accuracy of characterization, of the average film thickness $\overline{\mathrm{d}}$ and the thickness non-uniformity ∆d over the illuminated area, increases, employing a simple dual transformation utilizing the product T(λ)x_s(λ), where T_sm(λ) is the smoothed spectrum of T(λ) and x_s(λ) is the substrate absorbance. Secondly, an approach is proposed for selecting an interval of wavelengths, so that using envelope points only from this interval provides the most accurate characterization of $\overline{\mathrm{d}}$ and ∆d, as this approach is applicable no matter whether the substrate is transparent or non-transparent. Thirdly, the refractive index n(λ) and the extinction coefficient k(λ) are computed, employing curve fitting by polynomials of the optimized degree of 1/λ, instead of by previously used either polynomial of the optimized degree of λ or a two-term exponential of λ. An algorithm is developed, applying these three means, and implemented, to characterize a-Si and As₉₈Te₂ thin films. Record high accuracy within 0.1% is achieved in the computation of $\overline{\mathrm{d}}$ and n(λ) of these films.