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.

Keywords:

• N-doped ZGeSeNR
• negative differential resistance
• doping position and doping concentration
• edge passivation

Disclosure statement

No potential conflict of interest was reported by the authors.

Additional information

Funding

This work was supported by the Key science research project of higher education institutions in Henan Province under Grant No. 23B410003, Science and Technology Project of Henan Province under Grant No. 222102210190 and Ph. D. Research Project of Henan Normal University under Grant No. 20210265. The calculations were also supported by the High Performance Computing Center of Henan Normal University.