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2025-05-26 15:26:40 +08:00
parent 37726e2285
commit 4cf9472d91

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@@ -10,57 +10,48 @@
let B2 = [B#sub[2]]; let B2 = [B#sub[2]];
let E1 = [E#sub[1]]; let E1 = [E#sub[1]];
let E2 = [E#sub[2]]; let E2 = [E#sub[2]];
table(columns: 28, align: center + horizon, inset: (x: 3pt, y: 5pt), table(columns: 22, align: center + horizon, inset: (x: 3pt, y: 5pt),
m2[*Number of Mode*], m2[*Number of Mode*],
// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1 // E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
[1], m2[2], [3], m2[4], [5], [6], [7], [8], m3[9], [10], [11], [12], m2[13], [14], m2[15], m3[16], [17], [18], [1], [2], [3], [4], [5], [6], [7], [8], m2[9], [10], [11], [12], [13], [14], [15], m2[16], [17], [18],
m2[*Vibration Direction*],
// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1 // E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
[x], m2[y], [x], m2[y], [x], [y], m2[z], m3[z], [x], [y], [x], m2[y], [x], m2[y], m3[z], m2[z], m2[*Vibration Direction*], [x], [y], [x], [y], [x], [y], m2[z], m2[z], [x], [y], [x], [y], [x], [y], m2[z], m2[z],
table.cell(rowspan: 2)[*Representation*], table.cell(rowspan: 2)[*Representation*],
[C#sub[6v]], m(3, E2), m(3, E2), m(2, E1), B1, B1, m(3, A1), m(2, E1), m(3, E2), m(3, E2), m(3, A1), B1, B1, [C#sub[6v]], m2(E2), m2(E2), m2(E1), B1, B1, m2(A1), m2(E1), m2(E2), m2(E2), m2(A1), B1, B1,
[C#sub[2v]],
// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1 // E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
A2, m(2, A1), A2, m(2, A1), B2, B1, B1, B1, m(3, A1), B2, B1, A2, m(2, A1), A2, m(2, A1), m(3, A1), B1, B1, [C#sub[2v]], A2, A1, A2, A1, B2, B1, B1, B1, m2(A1), B2, B1, A2, A1, A2, A1, m2(A1), B1, B1,
table.cell(rowspan: 4)[*Raman Tensor*], table.cell(rowspan: 4)[*Raman Tensor*],
[Non-zero components], [Non-zero components],
// E2 E2 E1 2B1 A1 // E2 E2 E1 2B1 A1
[xy], [xx], [yy], [xy], [xx], [yy], [xz], [yz], m2[None], [xx], [yy], [zz], [xy], [xx, -yy], [xy], [xx, -yy], [xz], [yz], m2[None], [xx, yy], [zz],
// E1 E2 E2 A1 2B1 // E1 E2 E2 A1 2B1
[xz], [yz], [xy], [xx], [yy], [xy], [xx], [yy], [xx], [yy], [zz], m2[None], [xz], [yz], [xy], [xx, -yy], [xy], [xx, -yy], [xx, yy], [zz], m2[None],
[Analysis result (a.u.)], [Analysis result (a.u.)],
// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1 // E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
m3[0.17], m3[1.13], m2[2.43], m2[0], m2[2.83], [1.79], m2[0.09], m3[88.54], m3[0.50], m2[0.01], [1.78], m2[0], m2[], m2[], m2[], m2[-], [], [], m2[], m2[], m2[], [], [], m2[-],
[Calculation result (a.u.)], [Calculation result (a.u.)],
// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1 // E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
m3[0.17], m3[1.13], m2[2.43], m2[0], m2[2.83], [1.79], m2[0.09], m3[88.54], m3[0.50], m2[0.01], [1.78], m2[0], m2[0.17], m2[1.13], m2[2.43], m2[0], [2.83], [1.79], m2[0.09], m2[88.54], m2[0.50], [0.01], [1.78], m2[0],
[Experiment result (a.u.)], [Experiment result (a.u.)],
// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1 // E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
m3[0.17], m3[1.13], m2[2.43], m2[0], m2[2.83], [1.79], m2[0.09], m3[88.54], m3[0.50], m2[0.01], [1.78], m2[0], m2[], m2[], m2[], m2[-], [], [1.79], m2[Invisible], m2[], m3[Invisible], [], m2[-],
table.cell(rowspan: 2)[*Frequency* (cm#super[-1])], table.cell(rowspan: 2)[*Frequency* (cm#super[-1])],
[Simulation], [Simulation],
// E2 E2 E1 2B1 A1 // E2 E2 E1 2B1 A1
m3[190.51], m3[197.84], m2[257.35], [389.96], [397.49], m3[591.90], m2[190.51], m2[197.84], m2[257.35], [389.96], [397.49], m2[591.90],
// E1 E2 E2 A1 2B1 // E1 E2 E2 A1 2B1
m2[746.91], m3[756.25], m3[764.33], m3[812.87], [885.68], [894.13], m2[746.91], m2[756.25], m2[764.33], m2[812.87], [885.68], [894.13],
[Experiment], [Experiment],
// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1 // E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
m3[195.5], m3[203.3], m2[269.7], m2[-], m3[609.5], m2[-], m3[776], m(5)[-], [839], m2[-], m2[195.5], m2[203.3], m2[269.7], m2[-], m2[609.5], m2[Invisible], m2[776], m(3)[Invisible], [839], m2[-],
table.cell(rowspan: 2)[*FWHM* (cm#super[-1])], table.cell(rowspan: 2)[*FWHM* (cm#super[-1])],
[Simulation],
// E2 E2 E1 2B1 A1
m3[0.08], m3[0.09], m2[0.08], m2[-], m3[0.61],
// E1 E2 E2 A1 2B1
m2[3.97], m3[4.62], m3[4.01], m3[0.89], m2[-],
// TODO: 怎么选取用于比较的合适的实验?
[Experiment, zxxz],
// E2 E2 E1 2B1 A1
m3[2.61], m3[2.09], m2[1.98], m2[-], m3[2.64],
// E1 E2 E2 A1 2B1
m2[-], m3[3.27], m3[-], m3[-], m2[-],
m2[*Polarity*],
// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1 // E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
m(6)[None], m2[Weak], m2[None], m(5)[Weak], m(6)[None], m3[Weak], m2[None], [Simulation], m2[0.08], m2[0.09], m2[0.08], m2[-], m2[0.61], m2[3.97], m2[4.62], m2[4.01], m2[0.89], m2[-],
// TODO: 怎么选取用于比较的合适的实验?
// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
[Experiment, zxxz], m2[2.61], m2[2.09], m2[1.98], m2[-], m2[2.64], m2[-], m2[3.27], m2[-], m2[-], m2[-],
// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
m2[*Polarity*], m(4)[None], m2[Weak], m2[None], m(4)[Weak], m(4)[None], m2[Weak], m2[None],
)}, )},
caption: [Negaligible-polarized Phonons at $Gamma$ Point], caption: [Negaligible-polarized Phonons at $Gamma$ Point],
)<table-nopol>] )<table-nopol>]