From 5a2a41458f9542bf830b7fc04b3694ceaad68b34 Mon Sep 17 00:00:00 2001
From: chn <chn@chn.moe>
Date: Sat, 28 Jun 2025 12:36:26 +0800
Subject: [PATCH]

---
 paper/method/default.typ | 51 ++++++++++++++++++++++++++++++----------
 1 file changed, 39 insertions(+), 12 deletions(-)

diff --git a/paper/method/default.typ b/paper/method/default.typ
index 024f4cb..75ab55c 100644
--- a/paper/method/default.typ
+++ b/paper/method/default.typ
@@ -47,19 +47,10 @@ During normal incidence, a 100 μm confocal pinhole was used to improve the z-di
 
 Three types of models were established: defect-free models, point defect models, and surface defect models.
 
-不同模型使用不同的大小。
-
-不同大小被使用来建立不同的模型。
-无缺陷的声子使用 xxA x xxA x xxA 和 xxA x xxA x xxA 的模型计算。
-我们发现它们的结果没有显著差异，因此我们认为，对于无缺陷和点缺陷的模型，xxA x xxA x xxA 的模型大小是足够的，
-因此对于无缺陷和点缺陷的模型，我们使用 xxA x xxA x xxA 的模型大小。
-对于面缺陷，一个更大的 xxA x xxA x xxA 的模型被使用。
-
-The three types of models were established with different sizes.
-We first utilized both xxx and xxx models to 
-
-点缺陷模型考虑了哪些结构
+无缺陷和点缺陷的模型
 
+无缺陷和点缺陷的模型尺寸为 xxA x xxA x xxA。
+我们认为是足够大的，因为无缺陷模型的结果与实验差距在一定范围内，且继续扩大模型对准确程度没有提升。
 对于点缺陷模型，我们考虑了 Si 空位、C 空位、N 替位、Al 替位。
 分别记为 V#sub[Si]、V#sub[C]、N#sub[Si] 和 Al#sub[C]。
 考虑到 SiC 的对称性 p63mc （引用），有两个不同的位点，记为 k 和 h，
@@ -67,8 +58,44 @@ We first utilized both xxx and xxx models to
 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 with a size of xxA x xxA x xxA.
+This size should be large enough to calculate phonon properties for defect-free and point defect 4H-SiC,
+  since the defect-free results obtained with these models were within 5% errors of the experimental data,
+  and further increasing the model size did not improve the accuracy.
+Twelve point defect models were considered, including Si vacancies (V#sub[Si]),
+  C vacancies (V#sub[C]), nitrogen substitutions (N#sub[Si]), and aluminum substitutions (Al#sub[C]).
+Considering the symmetry of 4H-SiC, which is p63mc (cite),
+  there are two different sites, k and h, 
+  which can be approximated as cubic (k) or hexagonal (h) based on the local environment.
+
+For point defect models, we considered five different structures,
+  including Si vacancies (V#sub[Si]), C vacancies (V#sub[C]),
+  nitrogen substitutions (N#sub[Si]), aluminum substitutions (Al#sub[C]),
+  and the structure of a nitrogen substitute carbon and carbon substitute silicon (N#sub[C]C#sub[Si])
+    which is proposed by xxx (ref) to be a possible structure of nitrogen doping.
+
+Besides, 
+
+
+
+For surface defect models, larger models where used to ensure the accuracy of the phonon properties.
+
+
 （图：a k 位与 h 位对比 b 面内与面外对比）
 
+
+
+
+
+因此对于无缺陷和点缺陷的模型，我们使用 xxA x xxA x xxA 的模型大小。
+对于面缺陷，一个更大的 xxA x xxA x xxA 的模型被使用。
+
+
+
+点缺陷模型考虑了哪些结构
+
+
+
 面缺陷模型考虑了哪些结构
 
 对于面缺陷模型，我们主要考虑了三类 BPD（引用自己的文章），这些缺陷在室温下被认为是可以稳定存在的。