Article
Coarse-grained approach to amorphous and anisotropic materials in kinetic Monte Carlo thin-film growth simulations: A case study of TiO₂ and ZnO by plasma-enhanced chemical vapor deposition
Author/s | Budagosky Marcilla, Jorge Alejandro
García Casas, Xabier Sánchez Valencia, Juan Ramón Barranco Quero, Ángel Borrás Martos, Ana Isabel |
Department | Universidad de Sevilla. Departamento de Física Aplicada I |
Publication Date | 2022-03 |
Deposit Date | 2023-01-16 |
Published in |
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Abstract | The growth of TiO₂ and ZnO thin films is studied by means of coarse-grained kinetic Monte Carlo simulations under conditions typically encountered in plasma-enhanced chemical vapor deposition experiments. The basis of our ... The growth of TiO₂ and ZnO thin films is studied by means of coarse-grained kinetic Monte Carlo simulations under conditions typically encountered in plasma-enhanced chemical vapor deposition experiments. The basis of our approach is known to work well to simulate the growth of amorphous materials using cubic grids and is extended here to reproduce not only the morphological characteristics and scaling properties of amorphous TiO₂ but also the growth of polycrystalline ZnO with a good approximation, including the evolution of the film texture during growth and its dependence on experimental conditions. The results of the simulations have been compared with available experimental data obtained by X-ray diffraction, analysis of the texture coefficients, atomic force microscopy, and scanning electron microscopy. |
Funding agencies | AEI-MICINN PID2019-110430GB-C21 AEI-MICINN PID2019-109603RA-I0 Consejería de Economía, Conocimiento, Empresas y Universidad de la Junta de Andalucía (PAIDI-2020) and EU FEDER 2014–2020 project US-1263142 Consejería de Economía, Conocimiento, Empresas y Universidad de la Junta de Andalucía (PAIDI-2020) and EU FEDER 2014–2020 project AT17-6079 Consejería de Economía, Conocimiento, Empresas y Universidad de la Junta de Andalucía (PAIDI-2020) and EU FEDER 2014–2020 project P18-RT-3480 EU H2020 program under the grant agreement 851929 (ERC Starting Grant 3DScavengers) EU H2020 program under the grant agreement 899352 (FETOPEN-01-2018-2019-2020 SOUNDofICE) |
Project ID. | PID2019-110430GB-C21
PID2019-109603RA-I0 US-1263142 AT17-6079 P18-RT-3480 EU H2020 851929 EU H2020 899352 |
Citation | Budagosky Marcilla, J.A., García Casas, X., Sánchez Valencia, J.R., Barranco Quero, Á. y Borrás Martos, A.I. (2022). Coarse-grained approach to amorphous and anisotropic materials in kinetic Monte Carlo thin-film growth simulations: A case study of TiO₂ and ZnO by plasma-enhanced chemical vapor deposition. Plasma Processes and Polymers, 19 (3), e2100179. https://doi.org/10.1002/ppap.202100179. |
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