Hydrogenated ultra-thin tin films predicted as two-dimensional topological insulators

Autor: Bo-Hung Chou, Zhi-Quan Huang, Chia-Hsiu Hsu, Feng-Chuan Chuang, Yu-Tzu Liu, Hsin Lin, Arun Bansil
Jazyk: angličtina
Rok vydání: 2014
Předmět:
Zdroj: New Journal of Physics, Vol 16, Iss 11, p 115008 (2014)
Druh dokumentu: article
ISSN: 1367-2630
DOI: 10.1088/1367-2630/16/11/115008
Popis: 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.
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