Undulated silicene and germanene freestanding layers: why not?
Journal
Journal of physics. Condensed matter : an Institute of Physics journal
ISSN: 1361-648X
Titre abrégé: J Phys Condens Matter
Pays: England
ID NLM: 101165248
Informations de publication
Date de publication:
08 May 2020
08 May 2020
Historique:
pubmed:
14
1
2020
medline:
14
1
2020
entrez:
14
1
2020
Statut:
ppublish
Résumé
Silicene and germanene freestanding layers are usually described as a honeycomb lattice formed by two hexagonal sub-lattices presenting a height difference, namely the layer buckling. In this work, first-principles calculations show that silicene and germanene can be rippled at 0 K with various wavelengths, without any compressive strain of the layer. For germanene, the height difference between two Ge atoms from the same sub-lattice can be as high as 4.7 [Formula: see text] for an undulation length of 81 [Formula: see text]. The deformations are related to slight (lower than 1.7°) bond angle modifications, and the energy cost is remarkably low, lying between 0.1 and 0.8 meV per atom. These undulations modify the electronic structure, opening a gap of 15 meV.
Identifiants
pubmed: 31931489
doi: 10.1088/1361-648X/ab6ae8
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM