Tunable and sizable band gap of single-layer graphene sandwiched between hexagonal boron nitride

Abstract

Opening a tunable and sizable band gap in single-layer graphene (SLG) without degrading its structural integrity and carrier mobility is a significant challenge. Using density functional theory calculations, we show that the band gap of SLG can be opened to 0.16 eV (without an electric field) and 0.34 eV (with a strong electric field) when properly sandwiched between two hexagonal boron nitride single layers. The zero-field band gaps are increased by more than 50% when the many-body effects are included. The ab initio quantum transport simulation of a dual-gated field effect transistor (FET) made of such a sandwich structure reveals an electric-field-enhanced transport gap, and the on/off current ratio is increased by a factor of 8.0 compared with that of a pure SLG FET. The tunable and sizeable band gap and structural integrity render this sandwich structure a promising candidate for high-performance SLG FETs. Jing Lu and co-workers have revealed how to open up a tunable band gap in single-layer graphene, the one-atom-thick honeycomb carbon layer that has sparked much interest both in fundamental physics and in practical applications. Although graphene's excellent mechanical, thermal and electrical properties are very attractive, one major drawback is its lack of ‘band gap’ — the energy gap in the electronic structure of a material that enables to switch its conductivity on and off. Previous attempts to create such a gap in single-layer graphene have typically damaged its structure or conductivity. Through extensive calculations, the researchers have now examined the properties of single-layer graphene when sandwiched between two honeycomb boron nitride (BN) layers. They revealed that for a specific positioning of the layers, a sizable band gap can be opened and further tuned by applying an electric field without causing damage, making the sandwich structure a promising component for field-effect transistors. An electric field-enhanced transport gap is well established in a dual-gated field effect transistor (FET) based on the h-BN/single-layer graphene/h-BN sandwich structure, and the on/off current ratio is increased by a factor of 8.0 compared with pure single-layer graphene FET. The tunable and sizeable band gap and structural integrity render this sandwich structure a promising candidate for high-performance single-layer graphene FETs.