The Green's function method is employed to study the general feature of an adsorbate, and to analyse the interaction energy between an adatom and the substitutional impurity atom at metal surface. 用格林函数方法,讨论了fcc(100)表面上原子的化学吸附能以及替代杂质与吸附原子相互作用的一般性质。
Study on the influence of substitutional impurity on the stability of noble metal ( 111) surfaces by molecular dynamics simulation 替位杂质对贵金属(111)表面稳定性影响的分子动力学研究
Numerical simulation of the influence of substitutional impurity on the interaction between low-energy Pt atoms and Pt ( 111) surface 替位杂质对低能Pt原子与Pt(111)表面相互作用影响的分子动力学模拟
The Green's function method within tight-bonding approximation is used to investigate the effects of substitutional impurity atom in metal on the Pt-Si interface electronic density of states ( DOS). 用一维紧束缚近似和格林函数方法研究了金属中的替位杂质对金属Pt与半导体Si所形成界面电子态的影响。
Substitutional Ag introduces some localized gap states, while the Fermi level is pinned near the top of valence band, and the impurity states can trap the hole to suppress the recombination of photo-generated carriers. 替位Ag会引入一些定域隙态,同时费米能级钉扎在价带顶,杂质态可以捕获空穴以抑制光生载流子的复合。
The band structure reveals the form of impurity levels due to the substitutional impurity in semiconductor matrix, the conductivity is higher than that of the non-doped model. 掺杂模型的能带结构显示,由于在半导体母体中进行杂质原子取代而形成了杂质能级,电导率都高于未掺杂的。