异质结
石墨烯
肖特基势垒
单层
材料科学
光电效应
半导体
带隙
光电子学
范德瓦尔斯力
凝聚态物理
纳米技术
化学
分子
物理
二极管
有机化学
作者
Wen‐Jing Xiao,Tianyun Liu,Yuefei Zhang,Zhen Zhong,Xinwei Zhang,Zhijun Luo,Bing Liu,Xun Zhou,Zhaocai Zhang,Xuefei Liu
标识
DOI:10.3389/fchem.2021.744977
摘要
With a direct bandgap, two-dimensional (2D) ZnSe is a promising semiconductor material in photoelectric device fields. In this work, based on first-principles methods, we theoretically studied the modulation of the Schottky barrier height (SBH) by applying horizontal and vertical strains on graphene/ZnSe heterojunction. The results show that the inherent electronic properties of graphene and ZnSe monolayers are both well-conserved because of the weak van der Waals (vdW) forces between two sublayers. Under horizontal strain condition, the n(p)-type SBH decreases from 0.56 (1.62) eV to 0.21 (0.78) eV. By changing the interlayer distance in the range of 2.8 Å to 4.4 Å, the n(p)-type SBH decreases (increases) from 0.88 (0.98) eV to 0.21 (1.76) eV. These findings prove the SBH of the heterojunction to be tuned effectively, which is of great significance to optoelectronic devices, especially in graphene/ZnSe-based nano-electronic and optoelectronic devices.
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