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 th...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.展开更多
基金Project supported by the National Natural Science Foundation of China(Grant No.11574261)the Natural Science Foundation of Hebei Province,China(Grant No.A2015203261)
文摘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.
