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）