A method to calculate the optical functions n(lambda) and k(lambda) by use of the transmission spectrum of a dielectric or semiconducting thin film measured at normal incidence is described. The spectrum should include the low-absorption region and the absorption edge to yield the relevant optical characteristics of the material. The formulas are derived from electromagnetic theory with no simplifying assumptions. Transparent films are considered as a particular case for which a simple method of calculation is proposed. In the general case of absorbing films the method takes advantage of some properties of the transmittance T(lambda) to permit the parameters in the two regions mentioned above to be calculated separately. The interference fringes and the optical path at the extrema of T(lambda) are exploited for determining with precision the refractive index and the film thickness. The absorption coefficient is computed at the absorption edge by an efficient iterative method. At the transition zone between the interference region and the absorption edge artifacts in the absorption curve are avoided. A small amount of absorption of the substrate is allowed for in the theory by means of a factor determined from an independent measurement, thus improving the quality of the results. Application of the method to a transmission spectrum of an a:Si(x)N(1-x):H film is illustrated in detail. Refractive index, dispersion parameters, film thickness, absorption coefficient, and optical gap are given with the help of tables and graphs.
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http://dx.doi.org/10.1364/ao.37.005262 | DOI Listing |
J Phys Condens Matter
January 2025
Department of Physics and Astronomy, University of Nebraska, 855 North 16th Street, Lincoln , 68588-0299, UNITED STATES.
From a comparison of the known molecular stoichiometry and X-ray photoemission spectroscopy (XPS), it is evident that the Fe(III) spin crossover salt [Fe(qsal)2Ni(dmit)2], where qsal = N(8quinolyl)salicylaldimine, and dmit2- = 1,3-dithiol-2-thione-4,5-dithiolato has a preferential surface termination with the Ni(dmit)2 moiety. This preferential surface termination leads to a significant surface to bulk core level shift for the Ni 2p X-ray photoemission core level, not seen in the corresponding Fe 2p core level spectra. A similar surface to bulk core level shift is seen in Pd 3d in the related [Fe(qsal)2]2Pd(dmit)2, ], where qsal = N(8quinolyl)salicylaldimine, and dmit2- = 1,3-dithiol-2-thione-4,5-dithiolato.
View Article and Find Full Text PDFThermal engineering can be used to exploit absorption in a silicon optical cavity. In this work, the steady state profile of the heat generated by absorption is shaped and used to generate a dynamic heterostructure in a weakly confined silicon optical cavity. This is demonstrated in an edge defect photonic crystal optomechanical cavity to produce phonon lasing and sub-GHz optical pulsing with photon-phonon cooperativity of 0.
View Article and Find Full Text PDFJ Chem Theory Comput
January 2025
Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr, Germany.
X-ray absorption spectroscopy (XAS) is a powerful method for exploring molecular electronic structure by exciting core electrons into higher unoccupied molecular orbitals. In this study, we present the first integration of the spin-unrestricted similarity-transformed equation-of-motion coupled cluster method (CVS-USTEOM-CCSD) for core-excited and core-ionized states into the ORCA quantum chemistry package. Using the core-valence separation (CVS) approach, we evaluate the accuracy of CVS-USTEOM-CCSD across 13 open-shell organic systems, covering over 20 core excitations with diverse spin multiplicities (doublet, triplet, and quartet).
View Article and Find Full Text PDFNanoscale
January 2025
School of Chemical Sciences, National Institute of Science Education and Research (NISER), Bhubaneswar, Odisha 752050, India.
The performance of an optoelectronic device is largely dependent on the light harvesting properties of the active material as well as the dynamic behaviour of the photoexcited charge carriers upon absorption of light. Recently, atomically thin two-dimensional transition metal dichalcogenides (2D TMDCs) have garnered attention as highly prospective materials for advanced ultrathin solar cells and other optoelectronic applications, owing to their strong interaction with electromagnetic radiation, substantial optical conductivity, and impressive charge carrier mobility. WSe is one such extremely promising solar energy material.
View Article and Find Full Text PDFSci Rep
January 2025
Department of Physics, Wolkite University, P. O. Box: 07, Wolkite, Ethiopia.
This study uses the Quantum ESPRESSO code to introduce Hubbard correction (U) to the density functional theory (DFT) in order to examine the effects of non-metals (C, F, N, and S) doping on the structural, electronic, and optical characteristics of rutile TiO. Rutile TiO is a substance that shows promise for use in renewable energy production, including fuels and solar energy, as well as environmental cleanup. Its wide bandgap, however, restricts their uses to areas with UV light.
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