Pressure effects on crystal and electronic structure of bismuth tellurohalides
Pressure effects on crystal and electronic structure of bismuth tellurohalides
We study the possibility of pressure-induced transitions from a normal semiconductor to a topological insulator (TI) in bismuth tellurohalides using density functional theory and tight-binding method. In BiTeI this transition is realized through the formation of an intermediate phase, a Weyl semimetal, that leads to modification of surface state dispersions. …