The superconductivity and topological surface state of type-II Dirac semimetal NiTe 2

NiTe 2 is a type-II Dirac semimetal with the Dirac point very close to the Fermi level. In this paper, its electronic structure, phonon structure and electron–phonon interaction are studied via first-principles calculations. The noteworthy result is that the nontrival bands around the type-II Dirac point are strongly coupled with phonon modes, suggesting that they play an important role in superconductivity. Furthermore, the topological surface states on the (0 0 1) cleavage plane originated from the nontrivial Z 2 are well separated from the bulk states and can be tuned to approach the Fermi level by adding holes or by V substitution. The possible topological superconductivity in type-II Dirac semimetal NiTe 2 is discussed.