Prediction of Nontrivial Band Topology and Superconductivity in Mg2_2Pb

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.Comment: 5 figure

Two distinct topological phases in the mixed valence compound YbB6 and its differences from SmB6

We discuss the evolution of topological states and their orbital textures in the mixed valence compounds SmB6 and YbB6 within the framework of the generalized gradient approximation plus onsite Coulomb interaction (GGA+U) scheme for a wide range of values of U. In SmB6, the topological Kondo insulator (TKI) gap is found to be insensitive to the value of U, but in sharp contrast, Kondo physics in isostructural YbB6 displays a surprising sensitivity to U. In particular, as U is increased in YbB6, the correlated TKI state in the weak-coupling regime transforms into a d-p-type topological insulator phase with a band inversion between Yb-5d and B-2p orbitals in the intermediate coupling range, without closing the insulating energy gap throughout this process. Our theoretical predictions related to the TKI and non-TKI phases in SmB6 and YbB6 are in substantial accord with recent angle-resolved photoemission spectroscopy (ARPES) experiments.Comment: 6 pages, 4 figures URL: http://link.aps.org/doi/10.1103/PhysRevB.91.15515

Surface Versus Bulk Dirac States Tuning in a Three-Dimensional Topological Dirac Semimetal

Recently, crystalline-symmetry-protected three-dimensional (3D) bulk Dirac semimetal phase has been experimentally identified in a stoichiometric high-mobility compound, Cd3As2. The Dirac state observed in Cd3As2 has been attributed to originate mostly from the bulk state while calculations show that the bulk and surface states overlap over the entire Dirac dispersion energy range. In this study, we unambiguously reveal doping induced evolution of the ground state of surface and bulk electron dynamics in a 3D Dirac semimetal. We develop a systematic technique to isolate the surface and bulk states in Cd3As2, by simultaneously utilizing angle-resolved photoemission spectroscopy (ARPES) and in-situ surface deposition. Our experimental results provide a method for tuning the chemical potential as well as to observe surface states degenerate with bulk states, which will be useful for future applications of 3D Dirac semimetal.Comment: 5 pages, 4 figure