An Analytic Study of Strain Engineering the Electronic Bandgap in Single-Layer Black Phosphorus

TL;DR

This paper analytically investigates how different types of strain affect the electronic bandgap in single-layer black phosphorus, identifying optimal strain directions for maximum bandgap modulation.

Contribution

It provides an analytic expression for bandgap variation under general strain, revealing that optimal strain directions depend on strain type and are not limited to armchair or zigzag orientations.

Findings

Maximum bandgap manipulation depends on strain direction and type.

Optimal strain direction varies with strain type.

Analytic model predicts strain effects on bandgap.

Abstract

We present an analytic study, based on the tight-binding approximation, of strain effects on the electronic bandgap in single-layer black phosphorus. We obtain an expression for the variation of the bandgap induced by a general strain type that includes both tension in and out of the plane and shear, and use this to determine the most efficient strain direction for different strain types, along which the strongest bandgap manipulation can be achieved. We find that the strain direction that enables the maximum manipulation of the bandgap is not necessarily in the armchair or zigzag direction. Instead, to achieve the strongest bandgap modulation, the direction of the applied mechanical strain is dependent on the type of applied strain.