Gate field effects on the topological insulator BiSbTeSe2 interface

TL;DR

This study uses first-principles calculations to explore how gate fields and interfacial modifications affect topological states in BiSbTeSe2 interfaces, revealing conditions for their preservation and insights into transport properties.

Contribution

It demonstrates how inter-slab distance and insertion of hexagonal boron nitride layers influence topological interface states and provides a first-principles approach to understanding gate effects on transport.

Findings

Topological states appear when inter-slab distance exceeds 6 Å.

Insertion of h-BN layers preserves topological interface states.

Gate-induced charge accumulates near the gate, leaving the interface nearly undoped.

Abstract

Interfaces between two topological insulators are of fundamental interest in condensed matter physics. Inspired by experimental efforts, we study interfacial processes between two slabs of BiSbTeSe2 (BSTS) via first principles calculations. Topological surface states are absent for the BSTS interface at its equilibrium separation, but our calculations show that they appear if the inter-slab distance is greater than 6 Ang. More importantly, we find that topological interface states can be preserved by inserting two or more layers of hexagonal boron nitride between the two BSTS slabs. In experiments, the electric current tunneling through the interface is insensitive to back gate voltage when the bias voltage is small. Using a first-principles based method that allows us to simulate gate field, we show that at low bias the extra charge induced by a gate voltage resides on the surface that is closest to the gate electrode, leaving the interface almost undoped. This provides clues to understand the origin of the observed insensitivity of transport properties to back voltage at low bias. Our study resolves a few questions raised in experiment, which does not yet offer a clear correlation between microscopic physics and transport data. We provide a road map for the design of vertical tunneling junctions involving the interface between two topological insulators.