Doped Sc2C(OH)2 MXene: New type s-pd band inversion topological insulator

Erdem Balci, Nal Zden Akkuş, Savas Berber

Araştırma sonucu: Dergiye katkıMakalebilirkişi

30 Atıf (Scopus)

Özet

The electronic structures of Si and Ge substitutionally doped Sc2C(OH)2 MXene monolayers are investigated in density functional theory. The doped systems exhibit band inversion, and are found to be topological invariants in Z 2 theory. The inclusion of spin orbit coupling results in band gap openings. Our results point out that the Si and Ge doped Sc2C(OH)2 MXene monolayers are topological insulators. The band inversion is observed to have a new mechanism that involves s and pd states.

Orijinal dilİngilizce
Makale numarası155501
DergiJournal of Physics Condensed Matter
Hacim30
Basın numarası15
DOI'lar
Yayın durumuYayınlandı - 21 Mar 2018
Harici olarak yayınlandıEvet

Bibliyografik not

Publisher Copyright:
© 2018 IOP Publishing Ltd.

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