Ternary compounds based on binary topological insulators as an efficient way for modifying the dirac cone

Abstract

The electronic structure of AIVBVI · A2VB3VI ternary compounds consisting of seven-layer atomic blocks separated by van der Waals gaps has been theoretically investigated. The YbBi(Sb)2Te4 compounds have been considered, for which a similar atomic structure has been predicted. It has been shown that most compounds based on Group IV elements, as well as YbBi2Te4, are three-dimensional topological insulators. Calculations of the surface electronic structure of MBi2Te4, where M is a Group IV element or Yb, demonstrate the possibility of tuning the Dirac surface conduction state owing to the first element.