中国物理B ›› 2016, Vol. 25 ›› Issue (6): 67801-067801.doi: 10.1088/1674-1056/25/6/067801
• CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES • 上一篇 下一篇
Chao-Hao Hu(胡朝浩), Xue-Hui Yin(殷学辉), Dian-Hui Wang(王殿辉), Yan Zhong(钟燕), Huai-Ying Zhou(周怀营), Guang-Hui Rao(饶光辉)
Chao-Hao Hu(胡朝浩)1,2, Xue-Hui Yin(殷学辉)1,2, Dian-Hui Wang(王殿辉)3, Yan Zhong(钟燕)1,2, Huai-Ying Zhou(周怀营)1,2, Guang-Hui Rao(饶光辉)1,2
摘要:
The detailed theoretical studies of electronic, optical, and mechanical properties of γ-Bi2Sn2O7 are carried out by using first-principle density functional theory calculations. Our calculated results indicate that γ-Bi2Sn2O7 is the p-type semiconductor with an indirect band gap of about 2.72 eV. The flat electronic bands close to the valence band maximum are mainly composed of Bi-6s and O-2p states and play a key role in determining the electrical properties of γ-Bi2Sn2O7. The calculated complex dielectric function and macroscopic optical constants including refractive index, extinction coefficient, absorption coefficients, reflectivity, and electron energy-loss function show that γ-Bi2Sn2O7 is an excellent light absorbing material. The analysis on mechanical properties shows that γ-Bi2Sn2O7 is mechanically stable and highly isotropic.
中图分类号: (Optical properties of bulk materials and thin films)