Mechanism of the Hydrogen Passivation of Boron in Crystalline Silicon
晶体硅中氢钝化硼的机理

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.