GaP中反位缺陷的电子结构

ELECTRONIC STRUCTURE OF ANTISlTE DEFECT IN GaP

本文利用紧束缚的格林函数方法，确定了Ｇａｐ中Ｐ＿（Ｇａ）反位缺陷的波函数为深能级Ｅ的函数。理论给出反位原子上的超精细相互作用常数，同实验符合得很好，定性说明了ＧａＰ中Ｐ＿（Ｇａ）反位缺陷的次近邻原子有向外驰豫的趋势。

The electronic wave function which is the function of the P_(Ga) defect energy is de-rived using a tight binding Green function thechnique. The hyperfine interaction constants of the an-tisite phosphorus given by the theory , are in good agreement with experimental results. It is predict-ed qualitatively that the nearest neighbor atoms of antisite phosphorus have a outward relaxationtrend.