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...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Publishing Group
2021-06-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-021-92936-z |