期刊论文

Fang, C

中文

物理学报

1000-3290

2023

72

14

224-233

10.7498/aps.72.20230318

Hunan Provincial Key Laboratory of Flexible Electronic Materials Genome Engineering; Scientific Research Innovation Foundation for Postgraduate of Changsha University of Science and Technology, China [CXCLY2022148]

本校为第一且通讯机构

基于石墨烯的范德瓦耳斯异质结既可以调节石墨烯的电子特性,还可以保留原始单层材料的优越特性.利用第一性原理,本文系统地研究了石墨烯/C3N范德瓦耳斯异质结的结构、电接触类型及光学性质.研究表明,平衡态下异质结中存在仅为0.039 eV的准p型欧姆接触.外加电场能调控异质结界面的接触类型,实现p型肖特基接触到欧姆接触的转变.垂直应变可以同时调控石墨烯和C3N的投影能带,甚至为石墨烯打开了一个不可忽视的带隙（360 meV）.外加电场和施加垂直应变这两种物理方法都能对异质结中石墨烯层的载流子掺杂类型和浓度进行有效调制.石墨烯层的载流子掺杂浓度的增大通过电场的调制更显著.与单层石墨烯和C3...

Graphene-based van der Waals heterojunctions can not only modulate the electronic properties of graphene but also retain the superior properties of the original monolayer. In this paper, the structure, electrical contact types, electronic and optical properties of graphene/C3N van der Waals heterojunctions are systematically investigated based on first-principles calculations. We find that there is a p-type Schottky contact of only 0.039 eV in the graphene/C3N van der Waals heterojunctions in an equilibrium state. The external electric field can adjust the interface contact type, specifically,...