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@@ -13,23 +13,22 @@ This approximation is based on the fact that
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18 个声子属于 12 个表示。拉曼张量的形状可以确定,大小不能。
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这些声子的拉曼张量的形状可以通过对称性分析来确定。
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Gamma 点声子满足 C#sub[6v] 点群对称性,18 个模式包含了 2A#sub[1] + 4B#sub[1] + 2E#sub[1] + 4E#sub[2] 共 12 个表示;
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其中简并表示(E1 和 E2)的拉曼张量的形状可以通过进一步考虑在 C#sub[2v] 点群中的表示来确定,如表所示。
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18 个 Gamma 点的弱极性声子包含了 C#sub[6v] 点群的12 个不可约表示(2A#sub[1] + 4B#sub[1] + 2E#sub[1] + 4E#sub[2])。
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通过进一步考虑 C#sub[6v] 中简并表示(E1 和 E2)在 C#sub[2v] 中的表示,所有声子的拉曼张量的非零分量可以确定,如表所示。
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其中,B#sub[1] 模式具有零拉曼张量,不参与拉曼散射;
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其它表示的模式具有非零拉曼张量分量,可能可以在适当的偏振配置下在拉曼实验中观察到。
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然而,模式是否足够强以在实验中可见取决于其拉曼张量分量的大小,而仅通过对称性分析无法确定这些大小。
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// Representation of these 18 phonons, and the shape of their Raman tensors could be determined in advance.)
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Phonons at the #sym.Gamma point satisfy the C#sub[6v] point group symmetry,
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and the 18 negligible-polar phonons correspond to 12 irreducible representations of the C#sub[6v] point group:
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2A#sub[1] + 4B#sub[1] + 2E#sub[1] + 4E#sub[2].
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Phonons belonging to the A#sub[1] and B#sub[1] representations vibrate along the z-axis and are non-degenerate,
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while those belonging to the E#sub[1] and E#sub[2] representations vibrate in-plane and are doubly degenerate.
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Phonons of the B#sub[1] representation are Raman-inactive, as their Raman tensors vanish.
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In contrast, phonons of the other representations are Raman-active,
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and the non-zero components of their Raman tensor
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can be determined by further considering their representation in the C#sub[2v] point group (see @table-rep).
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These Raman-active phonons are potentially be visible in Raman experiment under appropriate polarization configurations.
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The form of the Raman tensors (i.e., which components are non-zero) could be determined by symmetry analysis.
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The 18 negligible-polar phonons at the #sym.Gamma point
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correspond to twelve irreducible representations of the C#sub[6v] point group
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(2A#sub[1] + 4B#sub[1] + 2E#sub[1] + 4E#sub[2]).
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By further considering the doubly degenerate modes of the C#sub[6v] (E#sub[1] and E#sub[2])
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in the C#sub[2v] point group,
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the form of the 18 negligible-polar phonons' Raman tensors can be determined, as shown in @table-rep.
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Phonons of the B#sub[1] representation in C#sub[6v] have a zero Raman tensor and do not contribute to Raman scattering,
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while other phonons have non-zero Raman tensor components,
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indicating they may be observable in Raman experiments under appropriate incidence and polarization configurations.
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However, whether a mode is sufficiently strong to be experimentally visible
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depends on the magnitudes of its Raman tensor components,
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which cannot be determined solely from symmetry analysis.
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