Bandgap atomistic calculations on hydrogen-passivated GeSi nanocrystals
Abstract We present a detailed study regarding the bandgap dependence on diameter and composition of spherical Ge-rich Ge x Si1−x nanocrystals (NCs). For this, we conducted a series of atomistic density functional theory (DFT) calculations on H-passivated NCs of Ge-rich GeSi random alloys, with Ge a...
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| Auteurs principaux: | , , , , |
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| Format: | article |
| Langue: | EN |
| Publié: |
Nature Portfolio
2021
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| Sujets: | |
| Accès en ligne: | https://doaj.org/article/c3f5e3877bb3438fa7f5827470cbc551 |
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