摘要
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).
出处
《原子与分子物理学报》
CAS
CSCD
北大核心
1994年第1期108-114,共7页
Journal of Atomic and Molecular Physics
关键词
弛豫
银
表面
原子结构
能带
Clean Silver Surfaces, Relaxation, LEED spectra.