Abstract
Bi/Bi2Te3 (111) heteroepitaxial film is a novel system which combines two-dimensional and three-dimensional topological insulators. The lattice dynamical properties and the electron-phonon coupling in this heteroepitaxial film are calculated by including spin-orbit coupling from density functional perturbation theory. Full phonon dispersion curves are calculated and the zone-center Raman active modes are analyzed. There is a large mismatch in the phonon densities of states between ultrathin Bi deposited layers and Bi2Te3 substrate, which might have a significant improvement of thermoelectric performance of this system. The large electron-phonon coupling λ in Bi/Bi2Te3 heteroepitaxial film suggests that this system may hopefully become a topological superconductor.
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