摘要
本文采用集团模型和推广的Hückel分子轨道理论(EHMO)计算了c-Si中Er点缺陷及Er-O复合缺陷的原子构型及电子结构。计算结果符合实验及一些文献的第一性原理计算结果。
The atomic structure and electronic structure of Er point defects and Er O complex defects in crystal silicon were calculated in EHMO theory.The results accord with the experimental results and the first principle calculations,and can explain the luminescence character of erbium in crystal silicon very well.
出处
《光电子.激光》
EI
CAS
CSCD
1999年第5期419-424,共6页
Journal of Optoelectronics·Laser
关键词
Si基发光
铒
氧
集团模型
EHMO理论
luminescence of Si based material
erbium
oxygen
cluster model
EHMO