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本文用分子轨道法处理半导体化合物靶中射程参数问题,提出了理论模型和计算方法. 处理中发现Ⅲ-Ⅴ族化合物一般呈正偏离偏差,Ⅱ-Ⅵ族化合物呈负偏离偏差.且发现偏离系数γ只与靶的化学键有关,而在一定的能量范围内,与注入能量及离子的关系不大. 对于呈闪锌矿和纤锌矿的半导体化合物,本文用sp~3杂化轨道处理它们的约化重叠积分S_(AB)问题,得出了普适的离子性△与γ系数关系,发现Ⅲ-Ⅴ族化合物的S_(AB)呈正值,而Ⅱ-Ⅵ族化合物的S_(AB)呈负值,这是引起γ不同的主要原因之一. 文内对呈负偏离的He~+→CdS、CdTe,H~+→CdTe及B~+→CdHgTe系统,正偏离的Si~+→GaAs,Li~+→Al_2O_3,Be~+→InP和 N~+→GaP系统的 Se(E)和射程参数 R_p等实测值与计算值作了比较,均得到了满意结果.
In this dissertation, the molecular orbital method is used to deal with the range parameters in the semiconductor target. The theoretical model and calculation method are proposed. It is found that the group Ⅲ-Ⅴ compounds are normally deviating from each other and the group Ⅱ-Ⅵ compounds are negative deviating from each other. Only with the chemical bond of the target, but in a certain energy range, and the injection of energy and ions are not.For the was sphalerite and wurtzite semiconductor compounds, the sp ~ 3 hybrid orbital processing their about (AB), the relationship between △ and γ is obtained. It is found that the S_ (AB) of Ⅲ-Ⅴ compounds has a positive value, while the S_ (AB) of Ⅱ-Ⅵ compounds shows Negative, which is one of the main causes for the different γ.In this paper, positive deviations of Si ~ + → GaAs from He ~ + → CdS, CdTe, H ~ + → CdTe and B ~ + → CdHgTe systems with negative deviations , Se (E) of Li ~ + → Al_2O_3, Be ~ + → InP and N ~ + → GaP systems, and the range parameter R_p were compared with the calculated values, and satisfactory results were obtained.