中国物理B ›› 1995, Vol. 4 ›› Issue (4): 278-290.doi: 10.1088/1004-423X/4/4/006
• CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES • 上一篇 下一篇
童国平, 冯家显, 李鹤年
TONG GUO-PING (童国平), FENG JIA-XIAN (冯家显), LI HE-NIAN (李鹤年)
摘要: In this paper, the extended Wannier function suitable for instable lattice is constructed, by employing a linear combination of hydrogenlike-atom wave functions, and used to calculate the non-nearest-neighbor hopping and energy-band structure of trans-polyacetylene. Studies show that the non-nearest-neighbor terms have a considerable influence on the band structure. The computed results agree very well with the experimental results.
中图分类号: (Polymers and organic compounds)