Thermodynamic Theory of Phase Separation in Nonstoichiometric Si Oxide Films Induced by High-Temperature Anneals

High-temperature anneals of nonstoichiometric Si oxide (SiO<sub>x</sub>, <i>x</i> < 2) films induce phase separation in them, with the formation of composite structures containing amorphous or crystalline Si nanoinclusions embedded in the Si oxide matrix. In this paper, a...

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Main Author: Andrey Sarikov
Format: Article
Language:English
Published: MDPI AG 2023-07-01
Series:Nanomanufacturing
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Online Access:https://www.mdpi.com/2673-687X/3/3/19
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author Andrey Sarikov
author_facet Andrey Sarikov
author_sort Andrey Sarikov
collection DOAJ
description High-temperature anneals of nonstoichiometric Si oxide (SiO<sub>x</sub>, <i>x</i> < 2) films induce phase separation in them, with the formation of composite structures containing amorphous or crystalline Si nanoinclusions embedded in the Si oxide matrix. In this paper, a thermodynamic theory of the phase separation process in SiO<sub>x</sub> films is proposed. The theory is based on the thermodynamic models addressing various aspects of this process which we previously developed. A review of these models is provided, including: (i) the derivation of the expressions for the Gibbs free energy of Si oxides and Si/Si oxide systems, (ii) the identification of the phase separation driving forces and counteracting mechanisms, and (iii) the crystallization behavior of amorphous Si nanoinclusions in the Si oxide matrix. A general description of the phase separation process is presented. A number of characteristic features of the nano-Si/Si oxide composites formed by SiO<sub>x</sub> decomposition, such as the local separation of Si nanoinclusions surrounded by the Si oxide matrix; the dependence of the amount of separated Si and the equilibrium matrix composition on the initial Si oxide stoichiometry and annealing temperature; and the correlation of the presence of amorphous and crystalline Si nanoinclusions with the presence of SiO<sub>x</sub> (<i>x</i> < 2) and SiO<sub>2</sub> phase, respectively, in the Si oxide matrix, are explained.
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spelling doaj.art-4c3ccbe8d31747d4823383c524687af02023-11-19T12:13:41ZengMDPI AGNanomanufacturing2673-687X2023-07-013329331410.3390/nanomanufacturing3030019Thermodynamic Theory of Phase Separation in Nonstoichiometric Si Oxide Films Induced by High-Temperature AnnealsAndrey Sarikov0V. Lashkaryov Institute of Semiconductor Physics NAS Ukraine, 41 Nauky Avenue, 03028 Kyiv, UkraineHigh-temperature anneals of nonstoichiometric Si oxide (SiO<sub>x</sub>, <i>x</i> < 2) films induce phase separation in them, with the formation of composite structures containing amorphous or crystalline Si nanoinclusions embedded in the Si oxide matrix. In this paper, a thermodynamic theory of the phase separation process in SiO<sub>x</sub> films is proposed. The theory is based on the thermodynamic models addressing various aspects of this process which we previously developed. A review of these models is provided, including: (i) the derivation of the expressions for the Gibbs free energy of Si oxides and Si/Si oxide systems, (ii) the identification of the phase separation driving forces and counteracting mechanisms, and (iii) the crystallization behavior of amorphous Si nanoinclusions in the Si oxide matrix. A general description of the phase separation process is presented. A number of characteristic features of the nano-Si/Si oxide composites formed by SiO<sub>x</sub> decomposition, such as the local separation of Si nanoinclusions surrounded by the Si oxide matrix; the dependence of the amount of separated Si and the equilibrium matrix composition on the initial Si oxide stoichiometry and annealing temperature; and the correlation of the presence of amorphous and crystalline Si nanoinclusions with the presence of SiO<sub>x</sub> (<i>x</i> < 2) and SiO<sub>2</sub> phase, respectively, in the Si oxide matrix, are explained.https://www.mdpi.com/2673-687X/3/3/19thermodynamic theoryphase separationnonstoichiometric Si oxideGibbs free energySi nanoparticlespenalty energy
spellingShingle Andrey Sarikov
Thermodynamic Theory of Phase Separation in Nonstoichiometric Si Oxide Films Induced by High-Temperature Anneals
Nanomanufacturing
thermodynamic theory
phase separation
nonstoichiometric Si oxide
Gibbs free energy
Si nanoparticles
penalty energy
title Thermodynamic Theory of Phase Separation in Nonstoichiometric Si Oxide Films Induced by High-Temperature Anneals
title_full Thermodynamic Theory of Phase Separation in Nonstoichiometric Si Oxide Films Induced by High-Temperature Anneals
title_fullStr Thermodynamic Theory of Phase Separation in Nonstoichiometric Si Oxide Films Induced by High-Temperature Anneals
title_full_unstemmed Thermodynamic Theory of Phase Separation in Nonstoichiometric Si Oxide Films Induced by High-Temperature Anneals
title_short Thermodynamic Theory of Phase Separation in Nonstoichiometric Si Oxide Films Induced by High-Temperature Anneals
title_sort thermodynamic theory of phase separation in nonstoichiometric si oxide films induced by high temperature anneals
topic thermodynamic theory
phase separation
nonstoichiometric Si oxide
Gibbs free energy
Si nanoparticles
penalty energy
url https://www.mdpi.com/2673-687X/3/3/19
work_keys_str_mv AT andreysarikov thermodynamictheoryofphaseseparationinnonstoichiometricsioxidefilmsinducedbyhightemperatureanneals