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中国物理学会期刊

    硅中四空位扩展的Koster-Slater模型

    CSTR: 32037.14.aps.39.128

    EXTENDED POTENTIAL MODEL OF TETRAVACANCY IN SILICON

    CSTR: 32037.14.aps.39.128
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    • 本文用扩展的Koster-Slater模型计算了硅中V4-未配对电子的对称化波函数,用算得的波函数计算了缺陷电子局域在最近邻每个原子上的η2及其s特征α2,和超精细相互作用常数,确定V4-处于深能级为0.78eV的A1对称态,给出与现有实验值相符合的结果。并指出,V4-的单个悬挂键上的η2比其它具有单个悬挂键的缺陷小,是由于V4-的势分布向一侧有较大偏重所致。

      In this paper, using the extended potential model, the symmetrized wavefuntion of the unpaired electron of tetravacancy (V4-) in silicon is calculated. We obtain the localization parameters η2, s-character fractions α2, p-character fractions β2 and hyper-fine constants of the unpaired electron on atoms nearest to the defect. V4- is determined for A1(C3v) symmetric state of the energy 0.78eV. Theoretical values are compatible with the existing experiments. Our results point out that η2 on single dangling bond of V4- is smaller than that of other defects with single dangling bond, this is because the potential distribution for V4- deviates from the single dangling bond case.

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