Phase compositions of Si oxynitride: A comprehensive thermodynamic modeling study
Abstract
In this work, a comprehensive thermodynamic description of the formation of phases in amorphous SiOxNy (0 <= x <= 2, 0 <= y <= 4/3) films as a function of the film chemical composition and fabrication temperature is presented. Two possible phase states, namely homogeneous single-phase Si oxynitride and two-phase mixture of Si oxide and Si nitride phases, are analyzed in terms of the lowest values of the Gibbs free energy. The characters of the modification of the phase composition upon changing the SiOxNy stoichiometry indices and fabrication temperature are determined. Moreover, characteristic features of the chemical composition of the Si oxide and Si nitride phases in two-phase Si oxynitrides are revealed. Particular attention is given to the thermodynamic origin of the boundaries between different phase states of the SiOxNy films and to determining the critical stoichiometry values separating them. A comprehensive phase diagram indicating single- and two-phase SiOxNy regions as functions of the fabrication temperature is constructed. The peculiarities of the transitions between different SiOxNy phase states, along with underlying mechanisms, are discussed with reference to this phase diagram. The obtained results extend our understanding of the fundamental properties of Si oxynitride films and their dependence on the film fabrication conditions, and may be used for tailoring SiOxNy characteristics for practical applications.
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BibTeX
@misc{sarikov2026phase,
title = {{Phase compositions of Si oxynitride: A comprehensive thermodynamic modeling study}},
author = {Andrey Sarikov and Mariia Babiichuk and Mariia Voitovych and Sergii V. Mamykin1},
howpublished = {arXiv},
year = {2026},
month = sep,
doi = {10.48550/arxiv.2609.34796},
eprint = {2609.34796},
archivePrefix = {arXiv},
url = {https://arxiv.org/abs/2609.34796},
note = {CC BY-NC-ND 4.0},
}
RIS
TY - UNPB
TI - Phase compositions of Si oxynitride: A comprehensive thermodynamic modeling study
AU - Andrey Sarikov
AU - Mariia Babiichuk
AU - Mariia Voitovych
AU - Sergii V. Mamykin1
PY - 2026
DA - 2026/09/28
PB - arXiv
DO - 10.48550/arxiv.2609.34796
UR - https://arxiv.org/abs/2609.34796
AB - In this work, a comprehensive thermodynamic description of the formation of phases in amorphous SiOxNy (0 <= x <= 2, 0 <= y <= 4/3) films as a function of the film chemical composition and fabrication temperature is presented. Two possible phase states, namely homogeneous single-phase Si oxynitride and two-phase mixture of Si oxide and Si nitride phases, are analyzed in terms of the lowest values of the Gibbs free energy. The characters of the modification of the phase composition upon changing the SiOxNy stoichiometry indices and fabrication temperature are determined. Moreover, characteristic features of the chemical composition of the Si oxide and Si nitride phases in two-phase Si oxynitrides are revealed. Particular attention is given to the thermodynamic origin of the boundaries between different phase states of the SiOxNy films and to determining the critical stoichiometry values separating them. A comprehensive phase diagram indicating single- and two-phase SiOxNy regions as functions of the fabrication temperature is constructed. The peculiarities of the transitions between different SiOxNy phase states, along with underlying mechanisms, are discussed with reference to this phase diagram. The obtained results extend our understanding of the fundamental properties of Si oxynitride films and their dependence on the film fabrication conditions, and may be used for tailoring SiOxNy characteristics for practical applications.
ER -