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Topological crystalline insulators (TCIs) are insulating materials whose topological property relies on generic crystalline symmetries. Based on first-principles calculations, we study a three-dimensional (3D) crystal constructed by stacking two-dimensional TCI layers. Depending on the inter-layer interaction, the layered crystal can realize diverse 3D topological phases characterized by two mirror Chern numbers (MCNs) ($mu_1,mu_2$) defined on inequivalent mirror-invariant planes in the Brillouin zone. As an example, we demonstrate that new TCI phases can be realized in layered materials such as a PbSe (001) monolayer/h-BN heterostructure and can be tuned by mechanical strain. Our results shed light on the role of the MCNs on inequivalent mirror-symmetric planes in reciprocal space and open new possibilities for finding new topological materials.
The unoccupied states in topological insulators Bi_2Se_3, PbSb_2Te_4, and Pb_2Bi_2Te_2S_3 are studied by the density functional theory methods. It is shown that a surface state with linear dispersion emerges in the inverted conduction band energy gap
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The interplay of magnetism and topology is a key research subject in condensed matter physics and material science, which offers great opportunities to explore emerging new physics, like the quantum anomalous Hall (QAH) effect, axion electrodynamics