Regulation of negative differential resistance behavior of zigzag GeSe nanoribbon by the doping of N atoms and edge passivation

Abstract

Using the first-principles calculations based on density-functional-theory (DFT) combined with nonequilibrium Green functions (NEGF), the electronic structure and transport properties of N-doped zigzag germanium selenide nanoribbon (ZGeSeNR) with different edge passivation atoms are systematically investigated. The calculated numerical results demonstrate the edge passivation atom exert a slight influence on the electronic properties of the N-doped ZGeSeNR. In contrast, the doping position of N atom has a great influence on the band structure of ZGeSeNR. Further, the current-voltage curves of N-doped ZGeSeNR based device exhibit a negative differential resistance (NDR) phenomenon. Moreover, the peak of NDR behavior enters the low bias region when the doping concentration of N atom is reduced to 0.925%, and the peak-valley ratio (PVR) ups to 107. These results are very helpful for the future development of high-performance and low-power electronic devices based on the N-doped ZGeSeNR.