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We performed X-ray diffraction and electrical resistivity measurement up topressures of 5 GPa and the first-principles calculations utilizing experimentalstructural parameters to investigate the pressure-induced topological phasetransition in BiTeBr having a noncentrosymmetric layered structure (space groupP3m1). The P3m1 structure remains stable up to pressures of 5 GPa; the ratio oflattice constants, c/a, has a minimum at pressures of 2.5 - 3 GPa. In the samerange, the temperature dependence of resistivity changes from metallic tosemiconducting at 3 GPa and has a plateau region between 50 and 150 K in thesemiconducting state. Meanwhile, the pressure variation of band structure showsthat the bulk band-gap energy closes at 2.9 GPa and re-opens at higherpressures. Furthermore, according to the Wilson loop analysis, the topologicalnature of electronic states in noncentrosymmetric BiTeBr at 0 and 5 GPa areexplicitly revealed to be trivial and non-trivial, respectively. These resultsstrongly suggest that pressure-induced topological phase transition in BiTeBroccurs at the pressures of 2.9 GPa.

Pressure-induced topological phase transition in polar semiconductor BiTeBr