English

Pressure-Induced Topological Phase Transitions in CdGeSb$_2$ and CdSnSb$_2$

Materials Science 2018-05-07 v3

Abstract

Topological quantum phase transitions (TQPTs) in a material induced by external perturbations are often characterized by band touching points in the Brillouin zone. The low-energy excitations near the degenerate band touching points host different types of fermions while preserving the topological protection of surface states. An interplay of different tunable topological phases offers an insight into the evolution of the topological character. In this paper, we study the occurrence of TQPTs as a function of hydrostatic pressure in CdGeSb2_2 and CdSnSb2_2 chalcopyrites, using the first-principles calculations. At ambient pressure, both materials are topological insulators having a finite band gap with inverted order of Sb-ss and Sb-pxp_x,pyp_y orbitals of valence bands at the Γ\Gamma point. On the application of hydrostatic pressure the band gap reduces, and at the critical point of the phase transition, these materials turn into Dirac semimetals. On further increasing the pressure beyond the critical point, the band inversion is reverted making them trivial insulators. The pressure-induced change in band topology from non-trivial to trivial phase is also captured by L\"{u}ttinger model Hamiltonian calculations. Our model demonstrates the critical role played by a pressure-induced anisotropy in frontier bands in driving the phase transitions. These theoretical findings of peculiar coexistence of multiple topological phases in the same material provide a realistic and promising platform for the experimental realization of the TQPT.

Keywords

Cite

@article{arxiv.1802.04534,
  title  = {Pressure-Induced Topological Phase Transitions in CdGeSb$_2$ and CdSnSb$_2$},
  author = {Rinkle Juneja and Ravindra Shinde and Abhishek K. Singh},
  journal= {arXiv preprint arXiv:1802.04534},
  year   = {2018}
}

Comments

7 pages, 7 figures

R2 v1 2026-06-23T00:20:37.183Z