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利用近似重位点原理研究了离子注入法制备的 β FeSi2 半导体薄膜和Si基体之间的取向关系(OR)。透射电子显微镜分析结果表明膜基之间最常见的取向关系为 (2 0 0 )β (2 0 0 ) Si,[0 1 0 ]β [0 1 1 ] Si,但是该平行关系并不精确满足。对 β FeSi2 Si的最佳取向的理论计算结果表明 β FeSi2 和Si要在上述取向关系基础上经过三维小角度旋转调整后才能达到最佳取向 ,此时 β FeSi2 和Si中不存在严格平行的晶面 ,因而在Si基体上生长高质量的 β FeSi2 单晶薄膜存在本质困难 ;计算结果还表明掺杂C离子后β FeSi2 晶格常数的微量调整对最佳取向关系影响不大 ;当 β FeSi2 和Si处于最佳取向时 ,它们之间可能的最佳界面是 (0 0 1 )β (0 2 2 ) Si或 (1 1 0 )β (1 1 1 ) Si。
The orientation relationship (OR) between the β FeSi2 semiconductor thin films prepared by ion implantation and the Si matrix was studied by using the principle of approximate resetting sites. Transmission electron microscopy analysis showed that the most common orientation between film-based films was (2 0 0) β (2 0 0) Si, [0 1 0] β [0 1 1] Si but this parallel relationship did not exactly satisfy . The theoretical calculation of the optimum orientation of β FeSi2 Si shows that β FeSi2 and Si should be optimally oriented after three-dimensional small-angle rotation based on the above orientation relationship. In this case, there is no strictly parallel crystal in β FeSi2 and Si Surface. Therefore, it is inherently difficult to grow high-quality β FeSi2 single crystal thin films on Si substrate. The calculation results also show that the micro-adjustment of β FeSi2 lattice constant has little effect on the optimal orientation when C ions are doped. When β FeSi2 and The best possible interface between Si and Si is (0 0 1) β (0 2 2) Si or (1 1 0) β (1 1 1) Si.