Structural disorder-driven topological phase transition in noncentrosymmetric BiTeI

Abstract

We investigate the possibility of using structural disorder to induce a topological phase in a solid state system. Using first-principles calculations, we introduce structural disorder in the trivial insulator BiTeI and observe the emergence of a topological insulating phase. By modifying the bonding environments, the crystal-field splitting is enhanced and the spin-orbit interaction produces a band inversion in the bulk electronic structure. Analysis of the Wannier charge centers and the surface electronic structure reveals a strong topological insulator with Dirac surface states. Finally, we propose a prescription for inducing topological states from disorder in crystalline materials. Understanding how local environments produce topological phases is a key step for predicting disordered and amorphous topological materials.

arXiv comment12 pages (5 main, 7 supplemental) and 8 figures (3 main and 5 supplemental)

References in corpus (22)

• WannierTools: An open-source software package for novel topological materials
• Topological quantum chemistry
• The (High Quality) Topological Materials In The World
• Catalogue of Topological Electronic Materials
• Towards ideal topological materials: Comprehensive database searches using symmetry indicators
• Topological classification of crystalline insulators through band structure combinatorics
• Topological Anderson Insulator
• Computing topological invariants without inversion symmetry
• Theory of the topological Anderson insulator
• Structure and Topology of Band Structures in the 1651 Magnetic Space Groups
• Emergence of non-centrosymmetric topological insulating phase in BiTeI under pressure
• Weyl semimetals from noncentrosymmetric topological insulators
• Origin of giant bulk Rashba splitting: Application to BiTeI
• Topological Insulators in Random Lattices
• Topological phases without crystalline counterparts
• Topological Weaire-Thorpe models of amorphous matter
• Computation of topological phase diagram of disordered Pb${}_{1-x}$Sn${}_x$Te using the kernel polynomial method
• High-throughput Discovery of Topologically Non-trivial Materials using Spin-orbit Spillage
• Unraveling the topology of ZrTe${}_5$ by changing temperature
• Layer-Dependent Topological Phase in a Two-Dimensional Quasicrystal and Approximant
• Temperature dependence of the topological phase transition of BiTeI from first principles
• Emergence of topological electronic phases in elemental lithium under pressure

Cited by in corpus (12)

• Higher-order topological phases in crystalline and non-crystalline systems: a review
• Symmetry-Protected Topological Phases in a Rydberg Glass
• Topological Random Fractals
• Average Symmetry Protected Higher-order Topological Amorphous Insulators
• Density-driven higher-order topological phase transitions in amorphous solids
• Structural spillage: an efficient method to identify non-crystalline topological materials
• Linear magnetization dependence and large intrinsic anomalous Hall effect in Fe78Si9B13 metallic glasses
• Topological band insulators without translational symmetry
• Laser-induced topological phases in monolayer amorphous carbon
• Aharanov-Bohm oscillations and perfectly transmitted mode in amorphous topological insulator nanowires
• Recent progress on disorder-induced topological phases
• Non-self-averaging topological Anderson insulator