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We study the properties of a family of anti-pervoskite materials, which are topological crystalline insulators with an insulating bulk but a conducting surface. Using ab-initio DFT calculations, we investigate the bulk and surface topology and show that these materials exhibit type-I as well as type-II Dirac surface states protected by reflection symmetry. While type-I Dirac states give rise to closed circular Fermi surfaces, type-II Dirac surface states are characterized by open electron and hole pockets that touch each other. We find that the type-II Dirac states exhibit characteristic van-Hove singularities in their dispersion, which can serve as an experimental fingerprint. In addition, we study the response of the surface states to magnetic fields.
Confining two dimensional Dirac fermions on the surface of topological insulators has remained an outstanding conceptual challenge. Here we show that Dirac fermion confinement is achievable in topological crystalline insulators (TCI), which host mult
We have investigated the nature of surface states in the Bi2Te3 family of three-dimensional topological insulators using first-principles calculations as well as model Hamiltonians. When the surface Dirac cone is warped due to Dresselhaus spin-orbit
We study topological crystalline insulators doped with magnetic impurities, in which ferromagnetism at the surface lowers the electronic energy by spontaneous breaking of a crystalline symmetry. The number of energetically equivalent ground states is
It has been known that an anti-unitary symmetry such as time-reversal or charge conjugation is needed to realize Z2 topological phases in non-interacting systems. Topological insulators and superconducting nanowires are representative examples of suc
We investigate the electrical conductivity and thermoelectric effects in topological crystalline insulators in the presence of short- and long-range impurity interactions. We employ the generalized Boltzmann formalism for anisotropic Fermi surface sy