Effect of normal strain and external electric field on electronic properties of the GeC bilayer: A first-principles study

Luo Min,Shen Yu Hao,Xu Yu E

doi:10.1063/1.5109686

Abstract

The electronic properties of the GeC bilayer with different stacking patterns are investigated using density functional theory. A different behavior shows up when applying normal strain and electric field (E-field). Under normal strain, the bandgap becomes very elastic and presents an indirect-to-direct bandgap transition. By applying the E-field, the intrinsic bandgap swiftly reduces to zero. The major modulation of the bandgap is mainly due to the migration of Ge-p orbitals in the conduction band. Our results reveal the flexible electronic properties of the GeC bilayer, which would provide a theoretical reference for the development of the GeC bilayer.

Highlights

Novel functional two-dimensional (2D) materials with unique and unpredictable features have become a hot topic in recent years
We have systematically studied the electronic properties of the GeC bilayer by the density functional theory (DFT) method
We systematically investigated the electronic properties of the GeC bilayer with different stacking patterns by using scitation.org/journal/adv the first-principles method

Summary

Introduction

Novel functional two-dimensional (2D) materials with unique and unpredictable features have become a hot topic in recent years. The discovery of graphene has gained much interest owing to its excellent physics and potential applications in nanoelectric devices.. Graphene is a zero-bandgap semiconductor, which limits its applications in nanodevices and integrated circuits.. The bandgap near the Fermi energy is critical for controlling electron conductivity. All these years, many studies focused on searching for other new 2D materials.. Except for graphene, research interests have been extended to other similar materials. A large number of new 2D materials, such as single-layer MoS210,11 and h-BN, have been found, which display excellent mechanical, thermoelectric, optical, and electronic properties

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