Prediction of new topological superconductor candidate 1T-Ti(Se_{1−y}Te_{y})_{2}

Abstract

Topological superconductivity has attracted intensive interest for its ability to host the Majorana zero mode and its implementation in topological quantum computations. Based on first-principles calculations and the analysis of the effective Bogoliubov–de Gennes Hamiltonian, we demonstrate that 1T-TiTe_{2} is a topological metal hosting topological surface states near the Fermi level, and it exhibits a normal-topological-normal superconducting phase transition as a function of the chemical potential. These results point to a new promising topological superconductor. Furthermore, our calculations also suggest that the transition metal intercalated Ti(Se_{1−y}Te_{y})_{2} is also a highly possible route to realize topological superconductivity and Majorana zero modes.