TODO.md

@@ -1,26 +0,0 @@
-* [ ] 文本
-  * [ ] method
-    * [x] 几个外延片
-      * [x] 中文
-      * [x] 英文
-      * [x] 调整语言
-    * [x] 拉曼实验
-      * [x] 中文
-      * [x] 英文
-      * [x] 调整语言
-    * [x] 模型总述
-    * [ ] 无缺陷和点缺陷的模型大小、结构
-      * [x] 中文
-      * [ ] 英文
-      * [ ] 填充数据和引用
-    * [ ] 面缺陷的模型大小、结构
-    * [ ] 第一性原理计算和声子计算的工具
-      * [x] 中文
-      * [ ] 英文
-      * [ ] 填充数据和引用
-* [ ] 实验
-  * [ ] 实验
-    * [ ] 测试不同片子的背面 LOPC，确认它们的掺杂是否相同
-  * [ ] 拟合
-    * [ ] 拟合最后一次正入射的结果，确定峰位移与掺杂等的关系
-    * [ ] 拟合带 LOPC 的 LO

paper/main.typ

@@ -53,3 +53,5 @@
 #include "others/default.typ"
 
 #bibliography("./ref.bib", title: "Reference", style: "american-physics-society")
+
+#include "todo.typ"

paper/method/default.typ

@@ -63,21 +63,22 @@ Three types of models were established: defect-free models, point defect models,
 此外，还有人提出，N 替换 C、C 替换 Si 的模型（引用），
   此结构除了 h 位与 k 位的区别以外，还需要考虑发生替换的两个原子位于面内还是面外（将会导致对称性的不同）。
 
-The defect-free and point defect models were established
+The defect-free and point defect models were established using supercells
   with dimensions of $12.4 #sym.angstrom times 10.7 #sym.angstrom times 10.1 #sym.angstrom$,
   containing approximately 128 atoms.
 This supercell size was found sufficient for accurately capturing the phonon properties
     of both defect-free and point-defect-containing 4H-SiC, 
   as the calculated phonon frequencies for the defect-free model deviated by less than 5% from experimental values,
-  and further increasing the cell size yielded negligible improvements.
-Twelve point defect configurations were investigated,
+  and further enlargement of the supercell yielded negligible changes.
+Twelve point defect models were constructed,
   including Si vacancies (V#sub[Si]-h and V#sub[Si]-k), C vacancies (V#sub[C]-h and V#sub[C]-k),
-  nitrogen substitions on C cites (N#sub[C]-h and N#sub[C]-k),
-  aluminum substitutions on Si cites (Al#sub[Si]-h and Al#sub[Si]-k),
-  and nitrogen substitutions on C sites followed by C substitutions on Si site
-    (N#sub[C]C#sub[Si]-i-h, N#sub[C]C#sub[Si]-i-k, N#sub[C]C#sub[Si]-o-h and N#sub[C]C#sub[Si]-o-k),
-  where -h and -k denote the quasi-hexagonal and quasi-cubic sites,
-  and -i and -o denote the in-plane and out-of-plane configurations, respectively.
+  N substitutions at C sites (N#sub[C]-h and N#sub[C]-k),
+  Al substitutions at Si sites (Al#sub[Si]-h and Al#sub[Si]-k),
+  and complex defects involving N substitution at a C site followed by C substitution at a Si site
+    @gerstmann_formation_2003
+    (N#sub[C]C#sub[Si]-i-h, N#sub[C]C#sub[Si]-i-k, N#sub[C]C#sub[Si]-o-h and N#sub[C]C#sub[Si]-o-k).
+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.
 
 （图：a k 位与 h 位对比 b 面内与面外对比）
 

paper/ref.bib

@@ -665,3 +665,21 @@ CNKICite: 6},
 	pages = {353001},
 	file = {PDF:/home/chn/Zotero/storage/BQNQVQBX/Togo et al. - 2023 - Implementation strategies in phonopy and phono3py.pdf:application/pdf},
 }
+
+@article{gerstmann_formation_2003,
+	title = {Formation and annealing of nitrogen-related complexes in {SiC}},
+	volume = {67},
+	copyright = {http://link.aps.org/licenses/aps-default-license},
+	issn = {0163-1829, 1095-3795},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.67.205202},
+	doi = {10.1103/PhysRevB.67.205202},
+	language = {en},
+	number = {20},
+	urldate = {2025-06-28},
+	journal = {Physical Review B},
+	author = {Gerstmann, U. and Rauls, E. and Frauenheim, Th. and Overhof, H.},
+	month = may,
+	year = {2003},
+	pages = {205202},
+	file = {PDF:/home/chn/Zotero/storage/5U5BPLCX/Gerstmann et al. - 2003 - Formation and annealing of nitrogen-related complexes in SiC.pdf:application/pdf},
+}

paper/todo.typ

@@ -0,0 +1,34 @@
+= TODO
+
+#import "@preview/cheq:0.2.2": checklist
+#show: checklist
+
+- [ ] 文本
+  - [ ] method
+    - [x] 几个外延片
+      - [x] 中文
+      - [x] 英文
+      - [x] 调整语言
+    - [x] 拉曼实验
+      - [x] 中文
+      - [x] 英文
+      - [x] 调整语言
+    - [x] 模型总述
+    - [x] 无缺陷和点缺陷的模型大小、结构
+      - [x] 中文
+      - [x] 英文
+      - [x] 填充数据和引用
+    - [ ] 点缺陷画图
+    - [ ] 面缺陷的模型大小、结构
+    - [ ] 第一性原理计算和声子计算的工具
+      - [x] 中文
+      - [ ] 英文
+      - [ ] 填充数据和引用
+  - [ ] 杂项
+    - [ ] N#sub[C]C#sub[Si] 有什么好处？
+- [ ] 实验
+  - [ ] 实验
+    - [ ] 测试不同片子的背面 LOPC，确认它们的掺杂是否相同
+  - [ ] 拟合
+    - [ ] 拟合最后一次正入射的结果，确定峰位移与掺杂等的关系
+    - [ ] 拟合带 LOPC 的 LO