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We calculate the mirror Chern number (MCN) and the band gap for the Pb1−xSnxSe alloy as a function of the concentration x by using a virtual crystalline approximation. We use the electronic structure from the relativistic density functional theory calculations in the Generalized-Gradient-Approximation (GGA) and meta-GGA approximation. Our results obtained with the modified Becke–Johnson metaGGA functional are comparable with the available experimental data for the MCN as well as for the band gap. We advise to use the modified Becke–Johnson approximation with the parameter c = 1.10 to describe the transition from a trivial to topological phase for this class of compounds.

acta physica polonica. a

Topological Transition in Pb<sub>1-x</sub>Sn<sub>x</sub>Se using Meta-GGA Exchange-Correlation Functional. Acta Physica Polonica A 136, 667 (2019), ERRATUM

Topological Transition in Pb1-xSnxSe using Meta-GGA Exchange-Correlation Functional. Acta Physica Polonica A 136, 667 (2019), ERRATUM

Topological Transition in Pb_1-xSn_xSe using Meta-GGA Exchange-Correlation Functional. Acta Physica Polonica A 136, 667 (2019), ERRATUM