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Pis'ma v Zh. Èksper. Teoret. Fiz., 2018, Volume 108, Issue 2, Pages 114–118 (Mi jetpl5629)  

CONDENSED MATTER

Electronic structure of amorphous SiO$_{x}$ with variable composition

A. A. Karpusina, V. A. Gritsenkoabc

a Rzhanov Institute of Semiconductor Physics, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia
b Novosibirsk National Research State University, Novosibirsk, Russia
c Novosibirsk State Technical University, Novosibirsk, Russia

Abstract: The heights of barriers for the injection of electrons and holes from silicon in SiO$_{x}$ have been calculated in the tight binding approximation without any fitting parameters. The dependence of the electronic structure of silicon-enriched amorphous silicon oxide SiO$_{x}$ on the degree of enrichment has been found. The calculations have been performed with the parameterization of the matrix elements of the tight binding Hamiltonian proposed in our previous work. This parameter involves a change in the localization region of valence electrons of an insulated atom at its introduction into a solid. It has been shown that the inclusion of this change makes it possible to calculate the electronic structure without fitting parameters using the parameters of individual atoms as initial data. This circumstance allows the calculation in the absolute energy scale with zero corresponding to the energy of the electron in vacuum.

Funding Agency Grant Number
Russian Foundation for Basic Research 17-02-01827
Russian Science Foundation 18-49-08001
Ministry of Science and Technology, Taiwan 107-2923--009-001-MY3


DOI: https://doi.org/10.1134/S0370274X18140096

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English version:
Journal of Experimental and Theoretical Physics Letters, 2018, 108:2, 127–131

Bibliographic databases:

Document Type: Article
Received: 20.03.2018
Revised: 20.06.2018

Citation: A. A. Karpusin, V. A. Gritsenko, “Electronic structure of amorphous SiO$_{x}$ with variable composition”, Pis'ma v Zh. Èksper. Teoret. Fiz., 108:2 (2018), 114–118; JETP Letters, 108:2 (2018), 127–131

Citation in format AMSBIB
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\by A.~A.~Karpusin, V.~A.~Gritsenko
\paper Electronic structure of amorphous SiO$_{x}$ with variable composition
\jour Pis'ma v Zh. \`Eksper. Teoret. Fiz.
\yr 2018
\vol 108
\issue 2
\pages 114--118
\mathnet{http://mi.mathnet.ru/jetpl5629}
\crossref{https://doi.org/10.1134/S0370274X18140096}
\transl
\jour JETP Letters
\yr 2018
\vol 108
\issue 2
\pages 127--131
\crossref{https://doi.org/10.1134/S0021364018140084}
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