Abstract:
:Functionalized X-Bi bilayers (X = Ga, In, and Tl) with halogens bonded on their both sides have been recently claimed to be the giant topological insulators due to the strong band inversion strengths. Employing the first-principles electronic structure calculation, we find the topological band order transition from the order p - p - s of the X-Bi bilayers with halogens on their both sides to the new order p - s - p of the bilayers (especially for X = Ga and In) with halogen on one side and hydrogen on the other side, where the asymmetric hydrogen bonding simulates the substrate. We further find that the p - s bulk band gap of the bilayer bearing the new order p - s - p sensitively depends on the electric field, which enables a meaningful engineering of the quantum spin Hall edge state by controlling the external electric field.
journal_name
Sci Repjournal_title
Scientific reportsauthors
Kim Y,Yun WS,Lee JDdoi
10.1038/srep33395subject
Has Abstractpub_date
2016-09-14 00:00:00pages
33395issn
2045-2322pii
srep33395journal_volume
6pub_type
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