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@@ -80,7 +80,7 @@ Twelve point defect models were constructed,
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Here, the suffixes -h and -k denote the quasi-hexagonal and quasi-cubic sites, respectively,
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while -i and -o denote the in-plane and out-of-plane configurations.
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(图:a k 位与 h 位对比 b 面内与面外对比)
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(图:a hk 位置 b 复杂缺陷 强调在复杂缺陷中,h k 根据 N 原子而定)
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For surface defect models, larger models where used to ensure the accuracy of the phonon properties.
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