First-principles calculations predict that Bi2Se3, Bi2Te3 and Sb2Te3 are topological insulatorsâthree-dimensional semiconductors with unusual surface states generated by spinâorbit couplingâwhose surface states are described by a single gapless Dirac cone. The calculations further predict that Bi2Se3 has a non-trivial energy gap larger than the energy scale kBT at room temperature.