Superconductivity in topological band structures is a platform for realizing Majorana bound states and other exotic physical phenomena such as emergent supersymmetry. This potential nourishes the search for topological materials with intrinsic superconducting instabilities, in which Cooper pairing is introduced to electrons with helical spin texture such as the Dirac surface states of topological insulators, forming a time-reversal symmetric topological superconductor on the surface. We employ first-principles calculations and ARPES experiments to reveal that PbTaSe 2 , a non-centrosymmetric superconductor, possess a nonzero Z 2 topological invariant and fully spinpolarized Dirac surface states. Moreover, we analyze the phonon spectrum of PbTaSe 2 to show how superconductivity can emerge due to a stiffening of phonons by the Pb intercalation, which diminishes a competing charge-density-wave instability. Our work establishes PbTaSe 2 as a stoichiometric superconductor with nontrivial Z 2 topological band structure, showing it holds great promise for studying aspects of topological superconductors such as Majorana zero modes.
3The interplay of topology and interacting electronic instabilities promises new ways to realize exotic physical phenomena. Majorana zero modes have been theoretically proposed to exist in the vortex core of chiral p-wave superconductors [1][2][3][4][5][6][7][8][9][10][11][12]. These systems are topological due to the unconventional form of their order parameter, while their electronic band structure can be topologically trivial. Unfortunately, electrons rarely form a chiral p-wave superconducting order in real materials. In a seminal work, Fu and Kane [3] realized that this can be overcome by interchanging the role of band structure and order parameter: Majorana zero modes can also appear when the topological surface states of a Z 2 topological band structure are gapped due to ordinary s-wave superconducting pairing. Multiple routes that have been proposed to realize this idea. One is to dope topological insulators (TIs), for example with copper atoms, giving rise to a transition temperature T c up to 3.8 K in Bi 2 Se 3 [13][14][15]. However, this approach requires fine tuning of the chemical doping composition and also introduces in an uncontrollable way chemical disorder into the system. Besides, the nature of the resulting superconductivity remains unclear. Another approach is to artificially fabricate TI thin layers on top of a superconductor [16]. Helical pairing of Dirac surface states induced by the proximity effect has been observed experimentally [16]. However, complex interface interaction hinders a comprehensive understanding of the induced helical Cooper pairing and the superconducting gap drops steeply as the film thickness increases, which places stringent requirements on material synthesis. A way that overcomes these difficulties is to search for chemically stoichiometric superconductors which possess intrinsically topological surface states. To date, a stoichiometric ...