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

The electronic structure of A(IV)B(VI) center dot A (2) (V) B (3) (VI) ternary compounds consisting of seven-layer atomic blocks separated by van der Waals gaps has been theoretically investigated. The YbBi(Sb)2Te(4) 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.