Effect of interfacial defects on the electronic properties of graphene/g-GaN heterostructures

Abstract

To gain deep insights into their interactions, the effects of interfacial defects on the structural and electronic properties of graphene/g-GaN heterostructures were investigated by using first-principles calculations.

Tunable Electronic Properties of Graphene/g-AlN Heterostructure: The Effect of Vacancy and Strain Engineering

“…In contrast, local distortion occurs when Al or N vacancy are introduced. The interlayer distance of pristine Gr/g-AlN is 3.49 Å and decreases to 3.28 (3.08) Å for Gr/g-AlN-V Al (V N ), all within the vdW gap range that was similar to previous reports [19,40]. A negative binding energy calculated by Equation 1is found in all heterostructures, indicating that the Gr/g-AlN contacts are energetically stable.…”

“…The results in Figure 1a,b and Figure 3a prove little variation of the band structures of g-AlN and graphene before and after contacting, both with nonmagnetic nature. The results are similar to that of Gr/g-GaN [18,19], Gr/Sb [41], and Gr/MoSe2 heterojunctions [42]. The Fermi level exactly passes through the Dirac cone, which indicates that the charge transfer between graphene and g-AlN sublayers are negligible and barely affects the nature of graphene.…”

“…The Fermi level exactly passes through the Dirac cone, which indicates that the charge transfer between graphene and g-AlN sublayers are negligible and barely affects the nature of graphene. Based on Equation 2 to that of Gr/g-GaN [18,19], Gr/Sb [41], and Gr/MoSe 2 heterojunctions [42]. The Fermi level exactly passes through the Dirac cone, which indicates that the charge transfer between graphene and g-AlN sublayers are negligible and barely affects the nature of graphene.…”

“…Heterostructure, by constructing graphene with other 2D materials, is an effective method to broaden the application of graphene. Recently, many works have been reported, such as electrostatically created bipolar graphene heterojunction [16], graphene/MoS 2 [17], as well as graphene/g-GaN [18,19]. Besides, Ahmad et al used a modified Hummer's method to obtain a photoconducting material based on the boron nitride-graphene oxide composite layer.…”

“…They found that the confine element composition of boron, nitrogen, carbon, and oxygen showed excellent photoconduction [20]. These graphene-based van der Waals (vdW) heterostructures not only exhibit novel optoelectronic properties far beyond their individual components, but also preserve their intrinsic electronic properties due to the lack of dangling bonds and the weak electron coupling between sublayers [19]. Experimentally, ultrathin Aluminum Nitrides (AlN) nanosheet with a larger lattice constant as compared to its bulk-like wurtzite phase was successfully epitaxially grown [21].…”