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23 April 2024 |
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Article overview
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Optical properties of silicon rich silicon nitride (SixNyHz) from first principles | Shu Xia Tao
; Anne M.M.G. Theulings
; Violeta Prodanović
; John Smedley
; Harry van der Graaf
; | Date: |
7 Sep 2015 | Abstract: | The real and imaginary parts of the complex refractive index of SixNyHz have
been calculated using density functional perturbation theory. Optical spectra,
i.e., reflectivity, adsorption coefficient, energy-loss function (ELF), and
refractive index spectrums, are obtained and the results for Si3N4 are in
agreement with the available theoretical and experimental results. With the aim
to understand the electron energy loss mechanism in Si rich silicon nitride,
the influence of the Si doping rate, positions of the dopants, H in and on the
surface, on 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 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 analyses has confirmed the origin of
the changes in the ELF. The results can be used to tailor the optical
properties, in this case, ELF of Si rich Si3N4, which is essential for
secondary electron emission application. | Source: | arXiv, 1509.2177 | Services: | Forum | Review | PDF | Favorites |
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