Structural, electronic, and optical properties of hexagonal and triangular SiC NWs with different diameters

• 来源期刊: 中国物理B（英文版）
• 关键词: silicon carbon nanowires stability electronic properties optical properties first-principles theory
• 年，卷（期）: 2017,（4）
• 页码范围: 433-437
• 页数: 5页
• 语种: 英文
• DOI: 10.1088/1674-1056/26/4/047309

摘要

Silicon carbide (SiC) is a wideband gap semiconductor with great application prospects,and the SiC nanomaterials have attracted more and more attention because of their unique photoelectric properties.According to the first-principles calculations,we investigate the effects of diameter on the electronic and optical properties of triangular SiC NWs (T-NWs) and hexagonal SiC NWs (H-NWs).The results show that the structure of H-NWs is more stable than T-NWs,and the conduction band bottom of H-NWs is more and more deviated from the valence band top,while the conduction band bottom of T-NWs is closer to the valence band top.What is more,H-NWs and T-NWs have anisotropic optical properties.The result may be helpful in developing the photoelectric materials.