Journal
PHYSICAL REVIEW MATERIALS
Volume 2, Issue 12, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevMaterials.2.124204
Keywords
-
Categories
Funding
- Department of Science and Technology, India [EMR/2016/003791]
Ask authors/readers for more resources
Perovskite structure is one of the five symmetry families suitable for exhibiting topological insulator phase. However, none of the halides and oxides stabilizing in this structure exhibit the same. Through density functional calculations on cubic perovskites (CsSnX3; X = Cl, Br, and I), we predict a band insulator-Dirac semimetal-topological insulator phase transition with uniform compression. With the aid of a Slater-Koster tight binding Hamiltonian, we show that, apart from the valence electron count, the band topology of these perovksites is determined by five parameters involving electron hopping among the Sn-{s, p} orbitals. These parameters monotonically increase with pressure to gradually transform the positive band gap to a negative one and thereby enable the quantum phase transition. The universality of the mechanism of phase transition is established by examining the band topology of Bi based oxide perovskites. Dynamical stability of the halides against pressure strengthens the experimental relevance.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available