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Published on: June 28, 2018
Theoretical design of a new family of two-dimensional topological insulators
Kai-Xuan Chen1, Shu-Shen Lyu1, Zhi-Yong Luo1
1School of Chemical Engineering and Technology, Sun Yat-sen University, Guangzhou 510275, China. modongch@mail.sysu.edu.cn.
Abstract:
A new family of two-dimensional topological insulator, hydrogenated monolayer Pb2XY (X = Ga/In, Y = Sb/Bi), has been predicted using first-principles density functional theory. The electronic bulk band gap of the proposed systems can be induced in the presence of a spin-orbit coupling effect and its highest value (0.25 eV) was observed in the hydrogenated monolayer Pb2GaBi, which is suitable for practical application. Our simulation study points out that the nanoribbons derived from this new family harbor gapless edge channels. The non-trivial topological nature was further confirmed by calculating the Z2 topological invariant. These novel systems provide a new platform for topological phenomena observation and spintronic applications.
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