In this work, electronic and transport properties of a pristine sawtooth penta-graphene nanoribbon (SSPGNR) and sawtooth penta-graphene nanoribbons doping with Silicon, Nitrogen, Phosphorus (Si-SSPGNR, N-SSPGNR, P-SSPGNR) are studied systematically by density-functional theory (DFT) in combination with the nonequilibrium Green's function formalism. Pristine sample and three doped samples in a similar position are terminated with H atoms. To explore in detail the electronic and transport features, we compute and discuss about the structure properties, band structure, density of states, I-V curve, and transmission spectrum. Our result shows that doping affects dramatically affects on the electronic nature and the I-V characteristic of samples. More specifically, the current intensity of N-SSPGNR and P-SSPGNR increase by 9 orders of magnitude compared to that of SSPGNR while the one of Si-SSPGNR has negligible change. However, there are also considerable differences in I-V curves of samples doping with N and P. Our findings indicate that doping by N and P can effectively modulate the electronic and the transport properties of SSPGNRs, which has not been studied so far.
Tạp chí khoa học Trường Đại học Cần Thơ
Lầu 4, Nhà Điều Hành, Khu II, đường 3/2, P. Xuân Khánh, Q. Ninh Kiều, TP. Cần Thơ
Điện thoại: (0292) 3 872 157; Email: tapchidhct@ctu.edu.vn
Chương trình chạy tốt nhất trên trình duyệt IE 9+ & FF 16+, độ phân giải màn hình 1024x768 trở lên