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| Main Authors: | , , , , |
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| Format: | Preprint |
| Published: |
2024
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2410.19530 |
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| _version_ | 1866916454498041856 |
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| author | Bertoni, Ilaria Ugolotti, Aldo Scalise, Emilio Bergamaschini, Roberto Miglio, Leo |
| author_facet | Bertoni, Ilaria Ugolotti, Aldo Scalise, Emilio Bergamaschini, Roberto Miglio, Leo |
| contents | Despite the extensive work carried out on the epitaxial growth of Ga2O3, a fundamental understanding of the nucleation of its different metastable phases is still lacking. Here we address the role of interface energies by Density Functional Theory calculations of alpha, beta and kappa Ga2O3 on (0001) Al2O3 substrates, and different Ga2O3 interlayers. In conjunction to surface energies and misfit strain contribution, we demonstrate that alpha Ga2O3 is the preferred phase in 2D islands, when the low growth temperatures and the high growth rates hinder 3D island nucleation. This quantitatively explains the phase-locking in Mist-CVD experiments |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2410_19530 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Interface energies of Ga2O3 phases with the sapphire substrate and the phase-locked epitaxy of metastable structures explained Bertoni, Ilaria Ugolotti, Aldo Scalise, Emilio Bergamaschini, Roberto Miglio, Leo Materials Science Despite the extensive work carried out on the epitaxial growth of Ga2O3, a fundamental understanding of the nucleation of its different metastable phases is still lacking. Here we address the role of interface energies by Density Functional Theory calculations of alpha, beta and kappa Ga2O3 on (0001) Al2O3 substrates, and different Ga2O3 interlayers. In conjunction to surface energies and misfit strain contribution, we demonstrate that alpha Ga2O3 is the preferred phase in 2D islands, when the low growth temperatures and the high growth rates hinder 3D island nucleation. This quantitatively explains the phase-locking in Mist-CVD experiments |
| title | Interface energies of Ga2O3 phases with the sapphire substrate and the phase-locked epitaxy of metastable structures explained |
| topic | Materials Science |
| url | https://arxiv.org/abs/2410.19530 |