Letter

Giant Topological Nontrivial Band Gaps in Chloridized Gallium Bismuthide

School of Physics and State Key Laboratory of Crystal Materials, Shandong University, Jinan, Shandong 250100, China
Nano Lett., 2015, 15 (2), pp 1296–1301
DOI: 10.1021/nl504493d
Publication Date (Web): January 27, 2015
Copyright © 2015 American Chemical Society
*E-mail: zmw@sdu.edu.cn.

Abstract

Abstract Image

Quantum spin Hall (QSH) effect is promising for achieving dissipationless transport devices but presently is achieved only at extremely low temperature. Searching for the large-gap QSH insulators with strong spin–orbit coupling (SOC) is the key to increase the operating temperature. We demonstrate theoretically that this can be solved in the chloridized gallium bismuthide (GaBiCl2) monolayer, which has nontrivial gaps of 0.95 eV at the Γ point, and 0.65 eV for bulk, as well as gapless edge states in the nanoribbon structures. The nontrivial gaps due to the band inversion and SOC are robust against external strain. The realization of the GaBiCl2 monolayer will be beneficial for achieving QSH effect and related applications at high temperatures.

Supporting Information


There are four parts (Part I–IV): Part I shows the gapless edge states of a GaBiCl2 nanoribbon with zigzag edges. Part II describes the details of TB model without SOC. Part III describes orbital projection band structures of GaBi and c-GaBiCl2. Part IV gives the TB model involving SOC. These materials are available free of charge via the Internet at http://pubs.acs.org.

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Article Views: 1,289 Times
Received 23 November 2014
Published online 27 January 2015
Published in print 11 February 2015
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