用低能电子衍射研究Si(111)7×7表面的原子结构

SURFACE ATOMIC STRUCTURE OF THE Si (111) 7×7 SURFACE STUDIED BY LOW-ENERGY ELECTRON DIFFRACTION

本文提出了一个由低能电子衍射能带理论计算所确定的Si(111)7×7表面的不等边三角形聚合与添加原子模型。发现:第一层空间距d_k=0.95±0.02A(膨胀21.3%±0.02A),第二层空间距d_l=0.83±0.02A(膨胀5.9%±0.02A),第三层空间距d_l=0.69±0.05A(收缩10.9%±0.08A)和第四层空间距d_b=2.38±0.08A(膨胀3.8%±0.08A)。

In this paper, a scalene triangle-dimer-adatom model of the Si(lll)7×7 surface determined from band theory calculation of Low-Energ electron diffraction is prensented. We found the first-layer spacing distance d_1 = 0.95±0.02 A (expanded 21.3%±0.02 A), the second-layer spacing distance d_2=0.83±0.02 A(expanded 5.9%±0.02 A), the third-layer spacing distance d_3 = 0.69±0.05 A (contracted 10.9%±0.05 A) and the fourth-layer spacing distance d_4 = 2.38±0.08 A (expanded 3.8%±0.08 A).