摘要
用基于Chadi模型和格林函数方法的一种计算表面应力的半经验方法研究了Sb吸附在Si(0 0 1)衬底上的性质 .结果显示 ,Sb原子在Si(0 0 1)表面形成对称的dimer,其键长为 0 2 93nm ,表面以下层的弛豫很小 .Sb/Si(0 0 1) 2× 1表面沿着dimer方向的张应力为 1 0eV/ (1× 1cell) ,而沿垂直于dimer方向的压应力为 - 1 1eV/ (1× 1cell) .Sb/Si(0 0 1)表面应力的主要贡献来自于最上面三层表面 .
The properties of Sb adsorption on the Si(001) substrate have been studied by using the semiempirical approach for calculating the surface stress based on the Chadi's model and the Green's function method. It is shown that the Sb atoms form symmetric dimers on the Si(001) surface with the dimer bond length being 0 293?nm. No significant relaxations can be found in subsurface layers. The Sb/Si(001)2×1 surface is shown to be under tensile stress of 1 0?eV/(1×1?cell) along the dimer direction and compress stress of-1 1?eV(1×1?cell) perpendicular to the dimer direction. The main contribution of surface stress of Sb/Si(001) comes from the top three layers.
出处
《物理学报》
SCIE
EI
CAS
CSCD
北大核心
2000年第9期1747-1755,共9页
Acta Physica Sinica
基金
国家自然科学基金!(批准号 :697760 0 1)&&
关键词
表面应力
异质生长
锑/硅
半径验法
Surface stress, Heteroepitaxy, Green's function method
