This commit is contained in:
@@ -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.Gamma–K 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
|
||||
|
||||
|
||||
//
|
||||
|
||||
BIN
画图/声子不连续/embed.svg
LFS
Normal file
BIN
画图/声子不连续/embed.svg
LFS
Normal file
Binary file not shown.
BIN
画图/声子不连续/main.svg
LFS
BIN
画图/声子不连续/main.svg
LFS
Binary file not shown.
BIN
画图/声子不连续/plot.ipynb
LFS
BIN
画图/声子不连续/plot.ipynb
LFS
Binary file not shown.
BIN
画图/声子不连续/整体图.svg
LFS
BIN
画图/声子不连续/整体图.svg
LFS
Binary file not shown.
BIN
画图/声子不连续/部分图.svg
LFS
BIN
画图/声子不连续/部分图.svg
LFS
Binary file not shown.
Reference in New Issue
Block a user