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首页> 外文期刊>Zeitschrift fur Naturforschung. A, A journal of physical sciences >Study of the Location of Implanted Fluorine Atoms in Silicon and Germanium through Their Nuclear Quadrupole Interactions
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Study of the Location of Implanted Fluorine Atoms in Silicon and Germanium through Their Nuclear Quadrupole Interactions

机译：通过核四极相互作用研究硅和锗中注入的氟原子的位置

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摘要

Time Differential Perturbed Angular Distribution (TDPAD) measurements of the nuclear quadrupole hyperfine parameters for ~(19)F~* implanted into amorphous, polycrystalline and crystalline silicon and germanium are reported and reviewed. Two signals are observed in the crystalline materials ( ≈ 35 and 23 MHz in silicon, ≈ 33 and 27 MHz in germanium) while only one is detected in the amorphous and polycrystalline samples ( ≈ 22 MHz in silicon, ≈ 27 in germanium). Impurity sites in these materials were modeled using a Hartree-Fock cluster procedure. The Intrabond, Antibond, and Substitutional sites in the bulk were studied in both silicon and germanium. The ATOP and Intrabond Surface sites were also studied in silicon and the results extended to germanium. Lattice relaxation effects were incorporated by employing a geometry optimization method to obtain minimum energy configurations for the clusters modelling each site. The electronic wave functions were obtained for each optimized cluster by applying Unresctricted Hartree-Fock theory, and these wave functions were used to calculate the nuclear quadrupole hyperfine parameters at the site of the fluorine nucleus. Comparison of the theoretical hyperfine parameters to the experimental values indicates that ~(19)F~* located in the Intrabond and Intrabond surface sites could readily explain the higher frequency signal that has been observed. ~(19)F~* in the Antibond and the surface ATOP sites yield hyperfine parameters consistent with the low frequency signal observed in the crystalline materials and the single signal observed in the amorphous (or polycrystalline) materials. Examination of these two sites, in view of other available experimental evidence including the temperature dependence of the TDPAD signals, leads to the conclusion that the lower frequency signal is due to ~(19)F~* implants which have come to rest at the site of dangling bonds in the bulk. These dangling bonds are created as a result of damage generated in the individual collision cascades during the implantation process.
机译：报告并审查了对植入非晶，多晶硅，晶体硅和锗中的〜（19）F〜*的核四极超细参数的时间微分扰动角分布（TDPAD）测量。在晶体材料中观察到两个信号（硅中≈35和23 MHz，锗中≈33和27 MHz），而非晶和多晶样品中仅检测到一个信号（硅中≈22 MHz，锗中≈27）。使用Hartree-Fock聚类程序对这些材料中的杂质位点进行建模。在硅和锗中都研究了本体中的键内，反键和取代位点。还对硅中的ATOP和Intrabond表面位点进行了研究，结果扩展到了锗。通过采用几何优化方法合并晶格弛豫效果，以获得对每个位置建模的群集的最小能量配置。应用Unrectricted Hartree-Fock理论获得了每个优化簇的电子波函数，并将这些波函数用于计算氟核位置处的核四极超细参数。理论超细参数与实验值的比较表明，位于键内和键内表面部位的〜（19）F〜*可以很容易地解释所观察到的更高频率的信号。 Antibond中的〜（19）F〜*和表面ATOP位置产生的超精细参数与在晶体材料中观察到的低频信号以及在非晶（或多晶）材料中观察到的单个信号一致。考虑到其他可用的实验证据，包括对TDPAD信号的温度依赖性，对这两个部位进行检查，得出的结论是，较低频率的信号是由于〜（19）F〜*植入物已在该部位静止大部分悬挂的债券。这些悬空键是在植入过程中各个碰撞级联中生成的损坏的结果。

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