摘要
利用量子化学近似计算方法MNDO和红外光谱法研究了晶体硅中氢和硼的相互作用.结果表明,原子氢束缚在离代位硼原子约1.25A的球面能谷中,可绕硼转动,形成一个动态的硼-氢复合体,从而钝化硼.B-H对的动态性质导致对应的1875cm^(-1)红外吸收峰的宽化,这种状态可保持到10K.
The interaction between boron and hydrogen atoms in crystalline silicon has been studiedusing the approximated MNDO method and the IR absorption spectroscopy.The results showthat the hydrogen atom trapped in the potential valley about 1.25A apart from the central su-bstitutional boron atom,rotates around Batom,forms a dynamical B-H complex and passi-vates B.The dynamical character of the B-H complex gives rise to the broadening of thecorresponding 1875cm^(-1) IR absorption peak.This situation may be extended to a temperatureas low as 10K.
基金
中国科学院自然科学基金
关键词
钝化硼
硼
氢复合体
硅
红外光谱
Passivation of boron
B-H complex
Silicon
IR spectroscopy
