用能带理论计算清洁Ag（111），Ag（110）和Ag（001）表面的弛豫

THE CALCULATIONS OF RELAXATION OF CLEAN Ag(111), Ag(110) AND Ag(001) SURFACES BY BAND THEORY

用一维能带理论计算了清洁Ａｇ（１１１），Ａｇ（１１０）和Ａｇ（００１）表面的弛豫。计算结果显示出，当ｄ１＝２．６４０（膨胀４．２％）和ｄ２＝２．９２０（膨胀２３．８％）〔对ｎｇ（１１１）〕；ｄ１＝１．３７５±０．００８（收缩４．８％±０．００８）［对Ａｇ（１１０）」；ｄ１＝２．０４８±０．００５（膨胀０．２４％±０．００５）［对Ａｇ（００１）〕时，理论计算的ＬＥＥＤ谱与实验非常一致。

The relaxation of clean Ag (111), Ag (110) and Ag (001)surfaces was calculated by one -dimensional band theory. It is shown that the Calculated LEED spectra were in good agreement.with the experimental results where the surface atomic layers distances d1=2. 460 (expanded 4. 2%)and d2=2. 920 (expanded 23. 8%) for Ag (111),d1=1. 375±0. 008 (contrated 4. 8%±0. 008)for Ag (110),and d1=2. 048±0. 005(expanded 0. 24%±0. 005)for Ag (001).