硅中四空位扩展的Koster-Slater模型  

EXTENDED POTENTIAL MODEL OF TETRAVACANCY IN SILICON

作　　者：申三国[1] 范希庆[1] 张德萱 任尚元[2] 

机构地区：[1]郑州大学物理系,郑州450052 [2]中国科学技术大学物理系,合肥230026

出　　处：《物理学报》1990年第6期970-976,共7页Acta Physica Sinica

摘　　要：本文用扩展的Koster-Slater模型计算了硅中V_4^-未配对电子的对称化波函数,用算得的波函数计算了缺陷电子局域在最近邻每个原子上的η~2及其s特征α~2,和超精细相互作用常数,确定V_4^-处于深能级为0.78eV的A_1对称态,给出与现有实验值相符合的结果。并指出,V_4^-的单个悬挂键上的η~2比其它具有单个悬挂键的缺陷小,是由于V_4^-的势分布向一侧有较大偏重所致。In this paper, using the extended potential model, the symmetrized wavefuntion of the unpaired electron of tetravacancy (V_4^-) in silicon is calculated. We obtain the localization parameters η2, s-character fractions α2, p-character fractions β_2 and hyper-fine constants of the unpaired electron on atoms nearest to the defect. V4^- is determined for A1(C3v) symmetric state of the energy 0.78eV. Theoretical values are compatible with the existing experiments. Our results point out that ?2 on single dangling bond of V_4^- is smaller than that of other defects with single dangling bond, this is because the potential distribution for V4^- deviates from the single dangling bond case.

关 键 词：硅 空位 扩展 缺陷 势空位模型 

分 类 号：O771[理学—晶体学]