Optical Properties of Silicon-Rich Silicon Nitride (SixNyHz) from First Principles
Open Access
- 8 December 2015
- journal article
- research article
- Published by MDPI AG in Computation
- Vol. 3 (4) , 657-669
Abstract
The real and imaginary parts of the complex refractive index of SixNyHz have been calculated from first principles. Optical spectra for reflectivity, absorption coefficient, energy-loss function (ELF), and refractive index were obtained. The results for Si3N4 are in agreement with the available theoretical and experimental results. To understand the electron energy loss mechanism in Si-rich silicon nitride, the influence of the Si/N ratio, the positions of the access Si atoms, and H in and on the surface of the ELF have been investigated. It has been found that all defects, such as dangling bonds in the bulk and surfaces, increase the intensity of the ELF in the low energy range (below 10 eV). H in the bulk and on the surface has a healing effect, which can reduce the intensity of the loss peaks by saturating the dangling bonds. Electronic structure analysis has confirmed the origin of the changes in the ELF. It has demonstrated that the changes in ELF are not only affected by the composition but also by the microstructures of the materials. The results can be used to tailor the optical properties, in this case the ELF of Si-rich Si3N4, which is essential for secondary electron emission applications.Keywords
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This publication has 27 references indexed in Scilit:
- Potential applications of electron emission membranes in medicineNuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, 2016
- DFT study of electron affinity of hydrogen terminated β-Si3N4Diamond and Related Materials, 2015
- A MEMS Reactor for Atomic-Scale Microscopy of Nanomaterials Under Industrially Relevant ConditionsJournal of Microelectromechanical Systems, 2010
- NROM: A novel localized trapping, 2-bit nonvolatile memory cellIEEE Electron Device Letters, 2000
- Silicon Nitride and Related MaterialsJournal of the American Ceramic Society, 2000
- Secondary electron yield of SiO2 and Si3N4 thin films for continuous dynode electron multipliersApplied Surface Science, 1991
- Anisotropic Etching of Crystalline Silicon in Alkaline Solutions: II . Influence of DopantsJournal of the Electrochemical Society, 1990
- Plasma Si nitride—A promising dielectric to achieve high-quality silicon MIS/IL solar cellsJournal of Applied Physics, 1981
- Formation of Silicon Nitride at a Si ‐ SiO2 Interface during Local Oxidation of Silicon and during Heat‐Treatment of Oxidized Silicon in NH 3 GasJournal of the Electrochemical Society, 1976
- PHOTOEMISSION OF ELECTRONS AND HOLES INTO SILICON NITRIDEApplied Physics Letters, 1968