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@@ -82,18 +82,58 @@ In this paper, we do some things. We do something for the first time.
= Results and Discussion = Results and Discussion
// 拉曼活性的声子模式对应于 Gamma 点附近的声子模式。 == Phonons in Perfect 4H-SiC
// 根据这些声子模式在拉曼实验中的表现,我们将这些声子分成三个部分。
// 拉曼活性的声子模式对应于 Gamma 点附近的声子模式。
// 根据这些声子模式的极性,我们将这些声子分成两类。
Raman scattering peeks correspond to phonons located near the $Gamma$ point in reciprocal space.
We classified these phonons into two categories based on their polarities:
(i) negligible-polar phonons (i.e., phonons with no polarity or very weak polarity),
whose dispersion curves are continuous near the Γ point (as shown in @phonon),
and for which the effect of polarity can be ignored in the Raman scattering process;
and (ii) strong-polar phonons,
whose dispersion curves exhibit discontinuity near the Γ point (also shown in @phonon),
where the polarity gives rise to observable effects in the Raman spectra.
#figure(
image("/画图/声子不连续/整体图.svg", width: 80%),
caption: [Weak- and None-polarized phonons near $Gamma$ point],
placement: none
)<phonon>
=== Phonons with Negligible Polarities
// 我们使用 Gamma 点的声子模式来近似拉曼过程中的非极性声子。
// 这个近似被广泛使用,并且由于这个原因而被认为是可行的:
// 尽管拉曼过程中起作用的声子并不是那些严格在 Gamma 点的,
// 但这些声子模式的散射谱在 Gamma 附近连续且导数为零,且波矢很小(在本文中大约 0.01 A只有c轴的大约2%)。
// 因此,它们的性质与 Gamma 点的声子模式区别不大。
Phonons at the $Gamma$ point were used
to approximate negligible-polar phonons that participating in Raman processes.
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 $Gamma$ point,
their dispersion near the $Gamma$ 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
Therefore, negligible-polar phonons involved in Raman processes
have nearly indistinguishable properties from those at the $Gamma$ 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。
//
//
// 不同方向入射/散射光的拉曼实验对应于 Gamma 附近、偏向于不同方向的声子。
// 其中 $\mathrm{A_1}$、$\mathrm{B_1}$ 为一维表示,对应于无简并的声子;$\mathrm{E_1}$、$\mathrm{E_2}$ 为二维表示,对应于二重简并的声子。
// 在拉曼实验中,起作用的声子并不严格在 Gamma 点;但大多数声子的色散谱在 Gamma 点连续且导数(斜率)为零,因此大多情况下可以沿用这个分类,少数情况我们稍后会专门讨论。
// 4H-SiC 在 Gamma 点的声子共有 21 个模式,这些模式对应于点群 $\mathrm{C_{6v}}$ 的 14 个表示($\mathrm{3A_1+4B_1+3E_1+4E_2}$,其中 $\mathrm{A_1}$、$\mathrm{B_1}$ 为一维表示,对应于无简并的声子;$\mathrm{E_1}$、$\mathrm{E_2}$ 为二维表示,对应于二重简并的声子)。在拉曼实验中,起作用的声子并不严格在 Gamma 点;但大多数声子的色散谱在 Gamma 点连续且导数(斜率)为零,因此大多情况下可以沿用这个分类,少数情况我们稍后会专门讨论。
Raman scattering peeks correspond to phonons located near $Gamma$ point in reciprocal space.
We classified these phonons into three categories according to their behavior in Raman scattering:
(1) phonons could not be observed in Raman scattering spectrum,
either because they are Raman inactive or their scattering intensity is too weak;
(2) phonons could be observed in Raman scattering spectrum and with weak or no polarities,
their frequencies were independent of the direction of the incident light;
(3) strong polar phonons,
which were visible in Raman scattering spectrum,
and their frequencies depend on the direction of the incident light.
// 我们计算了 4H-SiC 在 A-Gamma 和 Gamma-M 上的声子频率如图和附录1所示。 // 我们计算了 4H-SiC 在 A-Gamma 和 Gamma-M 上的声子频率如图和附录1所示。
// 在拉曼散射中,起作用的模式都是那些非常接近于 Gamma 的模式 // 在拉曼散射中,起作用的模式都是那些非常接近于 Gamma 的模式