This title appears in the Scientific Report :
2015
Please use the identifier:
http://dx.doi.org/10.1103/PhysRevB.91.041303 in citations.
Please use the identifier: http://hdl.handle.net/2128/8466 in citations.
Functionalized bismuth films: Giant gap quantum spin Hall and valley-polarized quantum anomalous Hall states
Functionalized bismuth films: Giant gap quantum spin Hall and valley-polarized quantum anomalous Hall states
The search for new large band gap quantum spin Hall (QSH) and quantum anomalous Hall (QAH) insulators is critical for their realistic applications at room temperature. Here we predict, based on first-principles calculations, that the band gap of QSH and QAH states can be as large as 1.01 and 0.35 eV...
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Personal Name(s): | Niu, Chengwang (Corresponding Author) |
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Bihlmayer, Gustav / Zhang, Hongbin / Wortmann, Daniel / Blügel, Stefan / Mokrousov, Yuriy | |
Contributing Institute: |
JARA-FIT; JARA-FIT Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien; IAS-1 |
Published in: | Physical Review B Physical review / B, 91 91 (2015 2015) 4 4, S. 041303 041303 |
Imprint: |
College Park, Md.
APS
2015
|
DOI: |
10.1103/PhysRevB.91.041303 |
Document Type: |
Journal Article |
Research Program: |
Controlling Configuration-Based Phenomena Controlling Spin-Based Phenomena |
Link: |
OpenAccess OpenAccess |
Publikationsportal JuSER |
Please use the identifier: http://hdl.handle.net/2128/8466 in citations.
The search for new large band gap quantum spin Hall (QSH) and quantum anomalous Hall (QAH) insulators is critical for their realistic applications at room temperature. Here we predict, based on first-principles calculations, that the band gap of QSH and QAH states can be as large as 1.01 and 0.35 eV in an H-decorated Bi(111) film. The origin of this giant band gap lies in both the large spin-orbit interaction of Bi and the H-mediated exceptional electronic and structural properties. Moreover, we find that the QAH state also possesses the properties of a quantum valley Hall state, thus intrinsically realizing the so-called valley-polarized QAH effect. We further investigate the possibility of large gap QSH and QAH states in an H-decorated Bi(1¯10) film and X-decorated(X=F,Cl,Br,andI)Bi(111) films. |