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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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@@ -18,7 +18,10 @@
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- [x] 中文
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- [x] 英文
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- [x] 填充数据和引用
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- [ ] 点缺陷画图
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- [ ] 点缺陷画图(h k)
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- [x] 使用 inkscape 实现渐变
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- [ ] 确定要展示哪些结构
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- [ ] 点缺陷画图(复杂缺陷)
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- [ ] 面缺陷的模型大小、结构
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- [ ] 第一性原理计算和声子计算的工具
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- [x] 中文
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