Elimination of the internal electrostatic field in two-dimensional GaN-based semiconductors

GaN-based semiconductors are promising materials for solid-state optoelectronic applications. However, the strong internal electrostatic field (IEF) along the [0001] direction is a serious problem that harms the efficiency of lighting devices based on GaN-based semiconductors due to the quantum confined Stark effect. Here we theoretically predict a method, reducing the dimensions from bulk to two-dimensional (2D) structures, to fundamentally remove the IEF. After thinning the materials to several nanometers, the wurtzite configuration (with strong IEF) spontaneously transform to the haeckelite (48) configuration (without IEF) due to the more stable neutral surface in the 48 configuration. Meanwhile, the 48 configuration maintain optoelectronic properties comparable to or even better than those of the wurtzite configuration. By carefully analyzing the interaction between 2D GaN and different types of substrates (SiC and graphene), we not only provide clear physical insights for experimental results but also address a "thickness-controlled" vdW epitaxy scheme to experimentally realize the 48 configuration. We believe that the 4|8 configuration without IEF is a prospective material for diverse optoelectronic applications. In addition, we propose a point of view in engineering the properties of GaN-based semiconductors.