In this paper, the first principle method combining DFT and NEGF is used to study the electronic band structures and transport properties of wide buckled and puckered SbNRs via edge hydrogenation and oxidation. The calculated band structures show that the buckled and puckered SbNRs via edge hydrogenation are all semiconductor with different band gaps. The puckered aSbNRs via edge oxidation is also a semiconductor with a narrow band gap. The buckled SbNRs and puckered zSbNRs via edge oxidation
机构署名：
本校为通讯机构
院系归属：
物理与电子科学学院
摘要：
In this paper, we study the electronic structures and electronic transport properties of wide buckled and puckered antimonene nanoribbions (SbNRs) via edge hydrogenation and oxidation by using a first principle method. The calculated results show that the edge passivations play an important role in the band structures of wide buckled and puckered SbNRs. The current-voltage characteristics of buckled and puckered SbNRs consistent with their band structures. The currents of buckled and puckered SbNR devices via edge hydrogenation are nearly zero ...
