From 28f3dd07474fd885d257a432f214865e01018fe6 Mon Sep 17 00:00:00 2001 From: chn Date: Sat, 5 Jul 2025 18:26:56 +0800 Subject: [PATCH] --- paper/result/perfect/non-polar/default.typ | 18 ++++++++++++++---- paper/todo.typ | 10 +++++++--- 2 files changed, 21 insertions(+), 7 deletions(-) diff --git a/paper/result/perfect/non-polar/default.typ b/paper/result/perfect/non-polar/default.typ index 8140916..622d5d8 100644 --- a/paper/result/perfect/non-polar/default.typ +++ b/paper/result/perfect/non-polar/default.typ @@ -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. diff --git a/paper/todo.typ b/paper/todo.typ index b183eaf..ce784bd 100644 --- a/paper/todo.typ +++ b/paper/todo.typ @@ -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?