Interface-dependent phononic and optical properties of GeO/MoSO heterostructures.
Journal
Nanoscale
ISSN: 2040-3372
Titre abrégé: Nanoscale
Pays: England
ID NLM: 101525249
Informations de publication
Date de publication:
20 Jan 2022
20 Jan 2022
Historique:
pubmed:
6
1
2022
medline:
6
1
2022
entrez:
5
1
2022
Statut:
epublish
Résumé
The interface-dependent electronic, vibrational, piezoelectric, and optical properties of van der Waals heterobilayers, formed by buckled GeO (b-GeO) and Janus MoSO structures, are investigated by means of first-principles calculations. The electronic band dispersions show that O/Ge and S/O interface formations result in a type-II band alignment with direct and indirect band gaps, respectively. In contrast, O/O and S/Ge interfaces give rise to the formation of a type-I band alignment with an indirect band gap. By considering the Bethe-Salpeter equation (BSE) on top of G
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM