Strain-induced bandgap engineering in C3N nanotubes

被引：7
|
作者：
Yin, Yuling [1 ]
Chen, Hangyan [2 ]
Yuan, Qinghong [1 ,3 ,4 ]
机构：
[1] East China Normal Univ, Sch Phys & Elect Sci, State Key Lab Precis Spect, 500 Dongchuan Rd, Shanghai 200241, Peoples R China
[2] Soochow Univ, Sch Phys Sci & Technol, Suzhou 215006, Peoples R China
[3] New York Univ Shanghai, New York Univ East China Normal Univ Ctr Computat, Shanghai 200062, Peoples R China
[4] Univ Queensland, Ctr Theoret & Computat Mol Sci, Australian Inst Bioengn & Nanotechnol, Brisbane, Qld 4072, Australia
来源：
CHEMICAL PHYSICS LETTERS | 2021年 / 768卷
基金：
中国国家自然科学基金;
关键词：
C3N nanotube; Bandgap; Strain; Carrier mobility; TOTAL-ENERGY CALCULATIONS; SEMICONDUCTORS;
D O I：
10.1016/j.cplett.2021.138390
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Theoretical calculations have been used to investigate the electronic properties of C3N nanotubes (C3NNTs) and their tuning by applying strain. The C3NNTs are semiconductors and the application of strain can greatly adjust their bandgaps and carrier mobilities. Compressive strain along the axial direction enlarges the bandgap while the tensile strain reduces the bandgap of the nanotubes. Different carrier mobilities of armchair, zigzag and chiral C3NNTs under external strain have been revealed. Therefore, external strain is expected to be a powerful tool to modulate the electronic properties of C3NNTs, making C3NNTs to have promising applications in nano scale sensors and electronic devices.
引用
收藏
页数：6
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