Topological phase diagram of Pb1-xSnxSe1-yTey

Abstract

We reproduce the mirror Chern number phase diagram for the quaternary compound Pb1-xSnxSe1-yTey combining accurate density functional theory and tight-biding model. The tight binding models are extracted from ab-initio results, adding constraints to reproduce the experimental results. By using the virtual crystalline approximation, we calculated the mirror Chern number as a function of the concentrations x and y. We report different hamiltonians depending on whether we want to focus on the experimental band gap or on the experimental topological transition. We calculate the transition line between the trivial insulating phase and topological insulating phase that results in good agreement with the experimental results. Finally, we add in the phase diagram the Weyl phase predicted in the literature providing a complete topological phase diagram for the Pb1-xSnxSe1-yTey quaternary compound.

7 pages, 4 figures, 3 tables

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Cited by in corpus (3)

• Spin-orbit insulating phase in SnTe cubic nanowires: consequences on the topological surface states
• Pentagonal nanowires from topological crystalline insulators: a platform for intrinsic core-shell nanowires and higher-order topology
• Coexistence of Rashba and Dirac dispersions on the surface of centrosymmetric topological insulator decorated with transition metals