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@@ -38,10 +38,20 @@ It should be noted, however, that the observability in Raman experiment depends
我们提出了一个新的办法来估计拉曼张量大小。
We propose a method to estimate the magnitudes of the Raman tensors of these phonons based on symmetry analysis.
This approach is founded on the assumption that the change in polarizability induced by atomic displacements in 4H-SiC
is primarily determined by the first- and second-nearest neighbors of the atom and the sign of the atomic charge,
while other factors (mass, bond length, etc.) only have small contributions.
我们提出了一个办法来快速估计拉曼张量的大小。
这个办法基于对称性分析,并加入了以下假设:
每个原子对拉曼张量的贡献主要取决于第一近邻原子(它们的贡献记为 $a_i$),更远的原子则归结为小量(记为 $epsilon_i$ $eta_i$ $zeta_i$)。
此外,我们忽略了同一个振动模式中,同种原子振幅的绝对值的差异,只考虑它们振动方向的不同。
因此,拉曼张量的大小可以在进一步的第一性原理计算之前给出,结果总结在表中。
我们的结果表明756 附近的峰应该比其它峰具有更强的拉曼强度。
A method to estimate the magnitudes of the Raman tensors based on symmetry analysis was proposed.
This approach is founded on the symmetry analysis and incorporates the assumption
that the majority contribution of each atom to the Raman tensor is determined by its nearest neighbors
(denoted as $a_i$),
while contributions from more distant atoms are considered small (denoted as $epsilon_i$, $eta_i$, and $zeta_i$).
Additionally, we neglect the absolute differences in amplitudes of the same type of atoms in a phonon mode,
focusing only on their vibrational directions.
Consequently, the Raman tensors of the calculated phonon modes can be estimated
before additional first-principles computations (see appendix for details),
and the results are summarized in @table-nopol.

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@@ -56,14 +56,18 @@
- [/] 表格
- [x] 大致内容
- [ ] 可见性
- [ ] 估算拉曼张量
- [ ] 中文
- [ ] 英文
- [/] 估算拉曼张量
- [x] 中文
- [x] 英文
- [ ] 调整语言
- [ ] 填充分离 Si C 结果的数据,对称分布小量
- [ ] 第一性原理计算
- [ ] 中文
- [ ] 英文
- [ ] 调整语言
- [ ] 附录
- [ ] 分离 Si
- [ ] 推导细节
- [ ] 杂项
- [ ] N#sub[C]C#sub[Si] 有什么好处?
- [ ] 是否有其它需要研究的点缺陷?