Robust massless Dirac fermions in hydro-/halogenated trigonal borophene

The striking electronic characteristics of graphene trigger immense interests and continual explora-tions for new two-dimensional (2D) Dirac materials. By first-principles electronic structure calculations, we here identify a new set of 2D semimetals in hydro-/halogen embedding trigonal borophene, n...

Full description

Saved in:
Bibliographic Details
Published in:Journal of physics. Condensed matter 2024-10, Vol.36 (50), p.505304
Main Authors: Meng, L-B, Liu, D X, Ni, S, Zhang, Z M, Zhou, W M
Format: Article
Language:English
Subjects:
borophene
Dirac material
first-principles calculation
hydro-/halogenation
Citations: Items that this one cites
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:The striking electronic characteristics of graphene trigger immense interests and continual explora-tions for new two-dimensional (2D) Dirac materials. By first-principles electronic structure calculations, we here identify a new set of 2D semimetals in hydro-/halogen embedding trigonal borophene, namely -B X (X = H, F, Cl), that possess the graphene-like massless Dirac fermions. Owing to the central hollow B atoms strongly hybridized to the hydro-/halogen adatoms, adequate charge transfer is induced from the hollow B to the basal honeycomb B sublattice, which electronically stabilizes the 2D sheet and decisively endows a robust (intrinsic and stable-against-strains) graphene-like Dirac cone state. The predicted high energetic, dynamic and thermal stabilities, combined with pretty geometrical match to the commonly utilized Ag/Au(111) substrates, support their experimental viabilities. Our prediction provides a new branch for exploring the intriguing 2D Dirac fermionic states in versatile boron element and its derivatives.
ISSN:0953-8984
1361-648X
1361-648X
DOI:10.1088/1361-648X/ad7e73