Pressure driven topological phase transition in chalcopyrite ZnGeSb₂

2022/01/07 by Sadhukhan, Surasree, Sadhukhan, Banasree, Kanungo, Sudipta
#FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)

paper · doi:10.48550/arxiv.2201.02347

Abstract

Recently topologically non-trivial phases have been identified in few time-reversal invariant systems that lack of inversion symmetry. Using density functional theory based first-principles calculations, we report a strong topologically non-trivial phase in chalchopyrite ZnGeSb₂, which can act as a model system of strained HgTe. The calculations reveal the non-zero topological invariant (Z₂), the presence of Dirac cone crossing in the surface spectral functions with spin-momentum locking. We also show that the application of moderate hydrostatic pressure (∼7 GPa) induces topological phase transition from topological non-trivial phase to a topologically trivial phase. A discontinuity in the tetragonal distortion of non-centrosymmetric ZnGeSb₂ plays a crucial role in driving this topological phase transition.

Related

• A first-principles investigation of pressure induced topological phase transition in Half-Heusler AgSrBi
• Spin-orbit coupling tuned crossover of gaped and gapless topological phases in the chalcopyrite HgSnX 2 (X=N/P): An ab-initio investigation
• Existence of dual topological phases in Sn-based ternary chalcogenides
• Quantum oscillations from networked topological interfaces in a Weyl semimetal
• Topological phase transition and tunable surface states in YBi