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2025-06-28 16:19:26 +08:00
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@@ -80,7 +80,7 @@ Twelve point defect models were constructed,
Here, the suffixes -h and -k denote the quasi-hexagonal and quasi-cubic sites, respectively,
while -i and -o denote the in-plane and out-of-plane configurations.
a k h 位对比 b 面内与面外对比
a hk b 复杂缺陷 强调在复杂缺陷中,h k 根据 N 原子而定
For surface defect models, larger models where used to ensure the accuracy of the phonon properties.