Tunable phase transitions in half-Heusler TbPtBi compound

We report various phase transitions in half-Heusler TbPtBi compound using density functionaltheory. Specifically, the inclusion of spin-orbit coupling (SOC) leads to the band inversionresulting in the transition from the metallic to the topological semimetallic phase. However, inthe presence of SOC, there is a phase transition from the topological semimetal to the trivialsemimetal when the material is subjected to compressive strain(-7%). Subsequently, under thefurther increase of compressive strain(?-7%), we find an opening of a direct band gap at thepoint, driving the system from the trivial semimetallic to a semiconducting state with changes inthe sequence of the bands. In the absence of SOC, only the transition from the metallic to thesemiconducting phase is noticed. Under tensile strain, the TbPtBi compound maintains its phaseas in the unstrained condition but with an increase in the hole pocket at the Fermi level, both inthe absence and presence of SOC. These tunable phase transitions (especially as a fraction ofstrain) make this compound very promising for application in various quantum devices, such ashighly sensitive strain gauges.