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2025-05-05 14:33:41 +08:00
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6 changed files with 32 additions and 14 deletions

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@@ -101,7 +101,7 @@ We classified these phonons into two categories based on their polarities:
where the polarity gives rise to observable effects in the Raman spectra.
#figure(
image("/画图/声子不连续/main.svg"),
image("/画图/声子不连续/embed.svg"),
caption: [
(a) Phonon dispersion of 4H-SiC along the A#sym.GammaK high-symmetry path.
Gray lines represent negligible-polar phonon modes,
@@ -125,16 +125,31 @@ Phonons at the #sym.Gamma point were used
This approximation is widely adopted and justified by the fact that,
although the phonons participating in Raman processes are not these strictly located at the #sym.Gamma point,
their dispersion near the #sym.Gamma point is continuous with vanishing derivatives,
and their wavevector is very small
(about 0.01 AA in this paper, which corresponds to only 2% of the smallest reciprocal lattice vector of 4H-SiC).
// TODO: 确认这个数值
and their wavevector is very small (about 0.01 nm#sub([-1]) in this paper,
which corresponds to only 1% of the smallest reciprocal lattice vector of 4H-SiC),
as shown by the orange dotted line in @phonon.
Therefore, negligible-polar phonons involved in Raman processes
have nearly indistinguishable properties from those at the #sym.Gamma point.
// 4H-SiC 在 Gamma 有 21 个distinct phonons,其中极性较弱的有 18 个。这些模式对应于点群 $\mathrm{C_{6v}}$ 的 12 个表示($\mathrm{3A_1+4B_1+3E_1+4E_2}$
// 对于非极性声子的拉曼散射,我们将使用 Gamma 点的声子模式来近似描述
// 这是因为,尽管拉曼实验中,起作用的声子并不严格在 Gamma 点;但这些声子模式的散射谱在 Gamma 附近是连续且导数为零,且起作用的声子离开 Gamma 点的距离也很小(对于 532 nm 的激光,离开 Gamma 点的距离小于 0.01 Å),它们的性质与 Gamma 点的声子模式区别不大
// 4H-SiC 在 Gamma 有 21 个distinct phonons。
// 其中 18 个被归类为极性较弱的声子。这是因为4H-SiC 的原胞中4 个 Si 原子所带的有效电荷差别不大,四个 C 原子所带的有效电荷差别也不大
// 在这些声子模式中,原胞中的 2 个 Si 原子运动方向与另外 2 个 Si 原子相反2 个 C 原子的运动方向与另外 2 个 C 原子相反,极性相互抵消
There are 21 distinct phonons at the #sym.Gamma point in 4H-SiC.
Among them, 18 phonons are classified as negligible-polar phonons.
This classification is based on the fact that
the four Si atoms in the primitive cell carry similar Born effective charges (BEC),
as do the four C atoms. // TODO: refer
In these 18 modes, the vibrations of two Si atoms are approximately opposite to those of the other two Si atoms,
and similarly for the C atoms,
leading to cancellations of macroscopic polarity.
These phonon modes correspond to twelve irreducible representations of the $\mathrm{C_{6v}}$ point group: $\mathrm{3A_1 + 4B_1 + 3E_1 + 4E_2}$.
18 of them are classified as negligible-polar phonons,
since
// TODO: 列个表格
//

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