Details

Autor(en) / Beteiligte

• Brozzesi, Simone
• Gori, Paola
• Koda, Daniel S
• Bechstedt, Friedhelm
• Pulci, Olivia

Titel

Thermodynamics and electronic structure of adsorbed and intercalated plumbene in graphene/hexagonal SiC heterostructures

Ist Teil von

• Scientific reports, 2024-02, Vol.14 (1), p.2947-2947, Article 2947

Ort / Verlag

England: Nature Publishing Group

Erscheinungsjahr

2024

Link zum Volltext

Quelle

EZB Electronic Journals Library

Beschreibungen/Notizen

• Graphene-covered hexagonal SiC substrates have been frequently discussed to be appropriate starting points for epitaxial overlayers of Xenes, such as plumbene, or even their deposition as intercalates between graphene and SiC. Here, we investigate, within density functional theory, the plumbene deposition for various layer orderings and substrate terminations. By means of total energy studies we demonstrate the favorization of the intercalation versus the epitaxy for both C-terminated and Si-terminated 4H-SiC substrates. These results are explained in terms of chemical bonding and by means of layer-resolved projected band structures. Our results are compared with available experimental findings.