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Title: Hydrogenated ultra-thin tin films predicted as two-dimensional topological insulators
Authors: Chou, B.-H
Huang, Z.-Q
Hsu, C.-H
Chuang, F.-C
Liu, Y.-T 
Lin, H 
Bansil, A 
Keywords: Calculations
Electric insulators
Electronic structure
Energy gap
Metallic films
Quantum Hall effect
Spin Hall effect
Ultrathin films
First-principles calculation
Quantum Spin hall effect
TiN thin films
Topological insulators
Topological phase
Thin films
Issue Date: 2014
Publisher: Institute of Physics Publishing
Citation: Chou, B.-H, Huang, Z.-Q, Hsu, C.-H, Chuang, F.-C, Liu, Y.-T, Lin, H, Bansil, A (2014). Hydrogenated ultra-thin tin films predicted as two-dimensional topological insulators. New Journal of Physics 16 : 115008. ScholarBank@NUS Repository.
Abstract: Using thickness-dependent first-principles electronic structure calculations, we predict that hydrogenated ultra-thin films of tin harbor a new class of two-dimensional (2D) topological insulators (TIs). A single bilayer (BL) tin film assumes a 2D-TI phase, but it transforms into a trivial insulator after hydrogenation. In contrast, tin films with 2 and 3 BLs are found to be trivial insulators, but hydrogenation of 2 to 4 BL films results in a non-trivial TI phase. For 1 to 3 BLs, H-passivation converts the films from being metallic to insulating. Moreover, we examined iodine-terminated tin films up to 3 BLs, and found these to be non-trivial, with the films becoming semi-metallic beyond 1 BL. In particular, the large band gap of 340 meV in an iodine-terminated tin BL is not sustained in the iodine-terminated 2 BL and 3 BL tin films. © 2014 IOP Publishing Ltd and Deutsche Physikalische Gesellschaft.
Source Title: New Journal of Physics
ISSN: 1367-2630
DOI: 10.1088/1367-2630/16/11/115008
Appears in Collections:Staff Publications

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