Theoretical Prediction of Carrier Mobility in Few-Layer BC2N

An ideal semiconducting material should simultaneously hold a considerable direct band gap and a high carrier mobility. A 2D planar compound consisting of zigzag chains of C-C and B-N atoms, denoted as BC2N, would be a good candidate. It has a direct band gap of 2 eV, which can be further tuned by changing the layer number. At the same time, our first-principles calculations show that few-layer BC2N possesses a high carrier mobility. The carrier mobility of around one million sqaure centimeters per volt-second is obtained at its three-layer. As our study demonstrated, few-layer BC2N has potential applications in nanoelectronics and optoelectronics.