Abstract
This paper is supported by Tomsk State University competitiveness improvement programme (Project No. 8.1.01.2017), the Saint Petersburg State University Project No. 15.61.202.2015, the Ministry of Education and Science of the Russian Federation within the framework of the governmental program Megagrants (State Task No. 3.8716.2017/220 or 3.8716.2017/9.10), the University of the Basque Country (Grants No. GIC07IT36607 and No. IT-756-13), the Spanish Ministry of Science and Innovation (Grants No. FIS2013-48286-C02-02-P, No. FIS2013-48286-C02-01-P, and No. FIS2016-75862-P).
Highlights
A theoretical prediction and further experimental verification of quantum spin Hall (QSH) effect induced by spinorbit interaction in two-dimensional (2D) insulating systems lead to the identification of a state of quantum matter— two-dimensional topological insulators (2D TIs) [1,2,3,4,5,6,7]
Electronic structure calculations were carried out using the projector augmented-wave (PAW) [45,46] and full-potential linearized augmented plane wave (FLAPW) methods implemented in the ABINIT [47] and FLEUR [48] code, respectively
We start with a detailed investigation of the topological properties of thin films Bi2Se3, Bi2Te3, and Sb2Te3 in dependence on different structure parameters and exchange-correlation energy within PAW and FLAPW methods implemented in the ABINIT and the FLEUR code, respectively
Summary
A theoretical prediction and further experimental verification of quantum spin Hall (QSH) effect induced by spinorbit interaction in two-dimensional (2D) insulating systems lead to the identification of a state of quantum matter— two-dimensional topological insulators (2D TIs) [1,2,3,4,5,6,7]. QSH effect has been theoretically predicted in a number of compounds containing heavy elements like Te, Bi, Pb, Mo, Ti, and Sn [9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33] Such compounds are by nature of different types of monolayers [9,16], bilayers [12,14], 2D inversion-asymmetric TIs [20], chemically functionalized systems [21,22], heterostructures [33], and others. Despite this successful progress in the theoretical prediction of the QSH systems, most proposed 2D materials have not been fabricated and experimentally verified
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