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Bandgap atomistic calculations on hydrogen-passivated GeSi nanocrystals

We present a detailed study regarding the bandgap dependence on diameter and composition of spherical Ge-rich Ge(x)Si(1−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 atomic c...

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Detalles Bibliográficos
Autores principales:	Cojocaru, Ovidiu, Lepadatu, Ana-Maria, Nemnes, George Alexandru, Stoica, Toma, Ciurea, Magdalena Lidia
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8245600/ https://www.ncbi.nlm.nih.gov/pubmed/34193909 http://dx.doi.org/10.1038/s41598-021-92936-z

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