Prediction of Nontrivial Band Topology and Superconductivity in Mg${}_2$Pb

Abstract

The interplay of BCS superconductivity and nontrivial band topology is expected to give rise to opportunities for creating topological superconductors, achieved through pairing spin-filtered boundary modes via superconducting proximity effects. The thus-engineered topological superconductivity can, for example, facilitate the search for Majorana fermion quasiparticles in condensed matter systems. Here we report a first-principles study of Mg${}_2$Pb and predict that it should be a superconducting topological material. The band topology of Mg${}_2$Pb is identical to that of the archetypal quantum spin Hall insulator HgTe, while isostructural and isoelectronic Mg${}_2$Sn is topologically trivial; a trivial to topological transition is predicted for Mg${}_2$Sn${}_{1-x}$Pb${}_x$ for x~0.77. We propose that Mg${}_2$Pb-Mg${}_2$Sn quantum wells should generate robust spin-filtered edge currents in analogy to HgTe/CdTe quantum wells. In addition, our calculations predict that Mg${}_2$Pb should become superconducting upon electron doping. Therefore, Mg${}_2$Pb is expected to provide a practical material platform for studying emergent phenomena arising from the interplay of superconductivity and band topology.

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