From 4855cae854a53b27ea04555c0969121b1a04cba1 Mon Sep 17 00:00:00 2001 From: Haonan Chen Date: Tue, 6 Jan 2026 17:00:37 +0800 Subject: [PATCH] =?UTF-8?q?=E5=A4=A7=E9=87=8F=E5=B0=8F=E8=B0=83=E6=95=B4?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- .../perfect => others}/figure-discont.typ | 0 paper/others/table-pol-full.typ | 41 +++++++ paper/others/table-rep.typ | 24 +++++ paper/result/perfect/default.typ | 102 ++---------------- paper/result/perfect/figure-raman.typ | 2 +- paper/result/perfect/figure-rev.typ | 14 +-- paper/result/perfect/table-nopol.typ | 9 +- paper/result/perfect/table-pol.typ | 22 ++-- 画图/入射角度与偏移/1.svg | 4 +- 画图/入射角度与偏移/2.svg | 3 - 画图/入射角度与偏移/embed.svg | 4 +- 画图/入射角度与偏移/main.svg | 4 +- 画图/入射角度与偏移/nopo.svg | 4 +- 画图/入射角度与偏移/plot.ipynb | 4 +- 画图/入射角度与偏移/po.svg | 4 +- 画图/拉曼整体图/embed.svg | 4 +- 画图/拉曼整体图/main.svg | 4 +- 17 files changed, 108 insertions(+), 141 deletions(-) rename paper/{result/perfect => others}/figure-discont.typ (100%) create mode 100644 paper/others/table-pol-full.typ create mode 100644 paper/others/table-rep.typ delete mode 100644 画图/入射角度与偏移/2.svg diff --git a/paper/result/perfect/figure-discont.typ b/paper/others/figure-discont.typ similarity index 100% rename from paper/result/perfect/figure-discont.typ rename to paper/others/figure-discont.typ diff --git a/paper/others/table-pol-full.typ b/paper/others/table-pol-full.typ new file mode 100644 index 0000000..3d15cac --- /dev/null +++ b/paper/others/table-pol-full.typ @@ -0,0 +1,41 @@ + #figure({ + set text(size: 9pt); + set par(justify: false); + let m(n, content) = table.cell(colspan: n, content); + let m2(content) = table.cell(colspan: 2, content); + let m3(content) = table.cell(colspan: 3, content); + let A1 = [A#sub[1]]; + let A2 = [A#sub[2]]; + let B1 = [B#sub[1]]; + let B2 = [B#sub[2]]; + let E1 = [E#sub[1]]; + let E2 = [E#sub[2]]; + let NA = [Not Applicable] + let lopc = [Yes#linebreak() (LOPC)]; + let overf = [Yes#linebreak() (overfocused)]; + table(columns: 19, align: center + horizon, inset: (x: 3pt, y: 5pt), + m2[*Incident Direction*], m(4)[z], m(5)[y], m(8)[between z and y, 20#sym.degree to z], + m2[*Vibration Direction*], + // TODO: check LO-TO mixed + [TO (x)], [TO (y)], m2[LO (z)], m3[TO (z)], [TO (x)], [LO (y)], m3[TO (y-z mixed)], [TO (x)], m(4)[LO (y-z mixed)], + table.cell(rowspan: 2)[*Representation*], + [C#sub[6v]], m2(E1), m2(A1), m(13, NA), [C#sub[2v]], B2, B1, m2(A1), m2(A1), B2, B1, m(9, NA), + table.cell(rowspan: 2)[*Raman Tensor*], + [Non-zero components], + [xz], [yz], [xx, yy], [zz], // z + [xx, yy], [zz], [xz], [yz], // y + [xx], [yy], [yz], [zz], [xz], [xx], [yy], [yz], [zz], // 25 y&z + [Simulation Result (a.u.)], + // TODO: raman intensity, or raman tensor? + m2[53.52], [58.26], [464.69], // z + [58.26], [454.09], [53.52], [53.55], // y + m2[53.71], [3.20], [425.98], [53.56], m2[3.60], [50.36], [27.99], // 45 y&z + m2[*Visible in Common Raman Experiment*], m(17)[Yes], + m2[*Wavenumber (Simulation) (cm#super[-1])*], + // z y 45 y&z + m2[776.57], m2[933.80], m2[761.80], [776.57], [941.33], m(4)[762.76], [776.57], m(4)[940.86], + m2[*Electrical Polarity*], m(17)[Strong] + )}, + caption: [Strong-polarized phonons near $Gamma$ point], + ) + diff --git a/paper/others/table-rep.typ b/paper/others/table-rep.typ new file mode 100644 index 0000000..0d33cd1 --- /dev/null +++ b/paper/others/table-rep.typ @@ -0,0 +1,24 @@ +#figure({ + set text(size: 9pt); + set par(justify: false); + let m2(content) = table.cell(colspan: 2, content); + let A1 = [A#sub[1]]; + let A2 = [A#sub[2]]; + let B1 = [B#sub[1]]; + let B2 = [B#sub[2]]; + let E1 = [E#sub[1]]; + let E2 = [E#sub[2]]; + table(columns: 8, align: center + horizon, + table.cell(rowspan: 2)[*Representation*], + [C#sub[6v]], A1, B1, m2(E1), m2(E2), + [C#sub[2v]], A1, B1, B2, B1, A2, A1, + m2[*Vibration Direction*], [z], [z], [x], [y], [x], [y], + m2[*Raman Tensor*], + [$mat(a,,;,a,;,,b)$], [$0$], + [$mat(,,a;,,;a,,;)$], [$mat(,,;,,a;,a,;)$], [$mat(,a,;a,,;,,;)$], [$mat(a,,;,-a,;,,;)$], + )}, + caption: [ + Irreducible representations and raman tensors of phonons in 4H-SiC. + ], + placement: none, +) diff --git a/paper/result/perfect/default.typ b/paper/result/perfect/default.typ index 2fa9a4a..ef7be21 100644 --- a/paper/result/perfect/default.typ +++ b/paper/result/perfect/default.typ @@ -1,7 +1,5 @@ == Phonons in Perfect 4H-SiC -// 第一段：弱极性与强极性声子模式表现截然不同。如图所示，弱极性声子模式几乎不依赖于波矢方向，而强极性声子模式则表现出显著的各向异性。 - Raman-active phonon modes were categorized into two groups, according to the distinct behaviors arising from different electrical polarities, including eight negligible-polarity modes (possessing zero or very weak polarity), @@ -51,6 +49,8 @@ However, the E#sub[1]-2 mode was observable in our experiments of y(zx)#overline Our experiments reported the observation of the E#sub[1]-2 peak for the first time, and explained the discrepancy among previous experiments and ours with the help of our calculations. +#include "figure-raman.typ" + It is noteworthy that the large variation in Raman tensor magnitudes among different modes was not yet theoretically understood. For example, the Raman tensor of the E#sub[2]-3 mode was substantially larger @@ -72,103 +72,19 @@ Notably, the E#sub[2]-3 mode was the only mode that retains the $a_i$ term,deter This stood in contrast to other negligible-polarity modes where such contributions tend to cancel out, explaining the exceptionally high Raman tensor magnitude observed for the E#sub[2]-3 mode. +#page(flipped: true)[ +#include "table-nopol.typ" +#include "table-pol.typ" +] + The mode frequency dependence on the wavevector were thoroughly investigated, - including both thoretical calculations (@figure-rev a), experimental measurements (@figure-rev b) - and their comparisons (@figure-rev c). + including both thoretical calculations (@figure-rev a), experimental measurements (left part of @figure-rev b) and their comparisons (right part of @figure-rev b). The E#sub[2]-3 mode frequency was calculated to remaine distinct in all incidence geometries (@figure-rev a), making it an ideal calibration reference for experiments. Meanwhile, the E#sub[2]-1, E#sub[2]-2 and A#sub[1]-1 mode showed a relatively larger dependence on the incidence direction, - which is in good agreement with our experimental observations (@figure-rev c). - - -// TODO: 图中标注强调是拉曼活性的模式 -// TODO: b 图的标题歪了 - -#include "figure-raman.typ" - -#include "table-nopol.typ" - -#include "table-pol.typ" - -// TODO: 合并两个表格到一页，删除 polar 中的多余信息 - - - - - - + which is in good agreement with our experimental observations (@figure-rev b). #include "figure-rev.typ" -#include "figure-discont.typ" - - -The E#sub[2]-3 peak was calculated to be having virtually invariant frequency, - and thus served as a calibration reference under various experiments. -The peek of E#sub[2]-1, E#sub[2]-2, A#sub[1]-1 and TO-zOx modes were observable in both normal and edge incidence, - thus was uesd to compare the frequency shifts between different incidence configurations. - -// TODO: 增加图例：各种入射激光 -// TODO: 增加 TO-zOx 的讨论 -// TODO: 条形图画成两个方向的 // TODO: 换个方案拟合，考虑不对称，看能不能把这个误差填上 - -// 第二段：我们具体计算了模式对极性的依赖。可以看到，弱极性声子的变化极小。与实验比较，也验证了我们实验的准确性。 - -// 第三段：有两个弱极性模式还没有在实验上看到过。我们通过计算知道了它们的强度，并看到了其中一个。 - -// 第四段：声子模式的强度可以从理论上得到解释。 - -=== Negligible-polarity Phonons - - - - - - - - -To achieve a more precise investigation of the Raman spectra - and prepare for analyzing impurity and charge carrier effects, - the analysis of negligible-polarity phonons off the #sym.Gamma point was conducted - by comparing experimental and calculated results under various lazer incidence directions. -The E#sub[2]-3 peak searved as a calibration reference under various experiments, - since its position was calculated to be virtually invariant between normal and edge incidence - (with a shift of only #sym.tilde 0.004 cm#super[-1]). -The E#sub[2]-1, E#sub[2]-2, and A#sub[1]-1 modes exhibited observable shifts, - and the experimental results were in good agreement with our calculations, as shown in fig. -Our results further confirmed the accuracy of both our experiments and calculations. - -=== Strong-polarity Phonons - -The Strong-polarity phonon modes participated in Raman scattering - exhibited significant variations depending on the incidence configurations - (see the intersection of colored solid lines and orange dashed lines in @figure-discont b and c). -For incident light propagating along the z direction, - the C#sub[6v] point group applied and two modes were present, - marked as normal-TO and normal-LO, - and they were corresponding to the E#sub[1] and A#sub[1] representations - and vibrations along the basle plane and z direction, respectively. -The normal-LO would subsiquently couple with plasmons to form LOPC modes in n-type 4H-SiC. -For incident light propagating along other directions, - the C#sub[6v] group no longer held and three modes were present. -Specifically, for incident light propagating along x direction, the C#sub[2v] group applied, - and the three modes was named as edge-TO-z, edge-TO-y and edge-LO, - which were corresponding to A#sub[1], B#sub[2] and B#sub[1] representations - and vibrations along z, y and x directions, respectively. - -E1 的情况。 - -注意到在正入射中，理论上不能被观察到的E#sub[1]-1模式也被观察到了。 -与弱极性的 E1-1 模式类似，我们也认为这是由于入射光并非完全沿 z 轴入射所致。 -但与弱极性 E1-1 模式不同的是，强极性 E1-1 模式在 xy 的偏振下并没有更强反而更弱。 -这是因为E1这时不再是严格的E1模式，而是分裂成了两个相近的模式。 -我们的计算表明，在2度的入射角下，E1分裂的两个模式非常接近。 -其中某个模式会怎样怎样，另一个会怎样怎样。 - -// 我们预测，随着入射方向偏移，LO 峰会向着高频方向移动。此外，我们也注意到 LO 也会与载流子产生影响。 -// 在 n 型半导体中，LOPC 模式将代替 LO 模式；在 p 型半导体中，LO 模式仍然单独存在，但它的半高宽会受到载流子浓度的影响。 - - - diff --git a/paper/result/perfect/figure-raman.typ b/paper/result/perfect/figure-raman.typ index 82a8d8f..dc0450b 100644 --- a/paper/result/perfect/figure-raman.typ +++ b/paper/result/perfect/figure-raman.typ @@ -1,7 +1,7 @@ #figure( image("/画图/拉曼整体图/embed.svg"), caption: [ - Phonon modes and corresponding Raman spectra of 4H-SiC. + Raman-active phonon modes and corresponding Raman spectra of 4H-SiC. (a)-(b) Raman spectra with (a) normal and (b) edge incidence configurations. ], placement: none diff --git a/paper/result/perfect/figure-rev.typ b/paper/result/perfect/figure-rev.typ index cab7874..f59958d 100644 --- a/paper/result/perfect/figure-rev.typ +++ b/paper/result/perfect/figure-rev.typ @@ -1,18 +1,10 @@ #figure( image("/画图/入射角度与偏移/embed.svg"), caption: [ - Phonon modes and corresponding Raman spectra of 4H-SiC. - (a)-(b) Raman spectra with (a) normal and (b) edge incidence configurations. + Frequency shifts of Raman-active modes depending on wavevectors. + (a) Calculated results. + (b) Experimental results and theoretical comparison. ], placement: none ) -// #figure( -// image("/画图/弱极性不同方向偏移/embed.svg"), -// caption: [ -// Frequency shifts of negligible-polar phonon modes under different incidence configurations. -// (a) Experimental results under z(yy)#overline[z] and x(yy)#overline[x] configurations. Solid lines and dots represent distribution and value of experimental data, respectively. -// (b) Comparison between experimental and calculated frequency shifts. The baby blue bars and error bars represent the mean and standard deviation of experimental results, respectively; the purple bars represent theoretical calculations. -// ], -// placement: none -// ) diff --git a/paper/result/perfect/table-nopol.typ b/paper/result/perfect/table-nopol.typ index b32996e..c7ae855 100644 --- a/paper/result/perfect/table-nopol.typ +++ b/paper/result/perfect/table-nopol.typ @@ -1,5 +1,5 @@ // 拟合结果位于 画图/拉曼结果拟合/250923 -#page(flipped: true)[#figure({ +#figure({ set text(size: 9pt); set par(justify: false); let m(n, content) = table.cell(colspan: n, content); @@ -50,8 +50,7 @@ )}, caption: [ Negaligible-polarized Phonons at $Gamma$ Point. - The calculated phonon frequencies had a slight underestimation of 2-5% comparing to experimental values, - which might be attributed to the known tendency of the PBE functional underestimating interatomic forces (cite). + // The calculated phonon frequencies had a slight underestimation of 2-5% comparing to experimental values, + // which might be attributed to the known tendency of the PBE functional underestimating interatomic forces (cite). ], -)] - +) diff --git a/paper/result/perfect/table-pol.typ b/paper/result/perfect/table-pol.typ index bdf5b38..24b41ba 100644 --- a/paper/result/perfect/table-pol.typ +++ b/paper/result/perfect/table-pol.typ @@ -1,10 +1,10 @@ -#page(flipped: true)[ #figure({ set text(size: 9pt); set par(justify: false); let m(n, content) = table.cell(colspan: n, content); - let m2(content) = table.cell(colspan: 2, content); - let m3(content) = table.cell(colspan: 3, content); + let m2(content) = m(2, content); + let m3(content) = m(3, content); + let m4(content) = m(4, content); let A1 = [A#sub[1]]; let A2 = [A#sub[2]]; let B1 = [B#sub[1]]; @@ -15,12 +15,12 @@ let lopc = [Yes#linebreak() (LOPC)]; let overf = [Yes#linebreak() (overfocused)]; table(columns: 19, align: center + horizon, inset: (x: 3pt, y: 5pt), - m2[*Incident Direction*], m(4)[z], m(5)[y], m(8)[between z and y, 20#sym.degree to z], - m2[*Vibration Direction*], - // TODO: check LO-TO mixed - [TO (x)], [TO (y)], m2[LO (z)], m3[TO (z)], [TO (x)], [LO (y)], m3[TO (y-z mixed)], [TO (x)], m(4)[LO (y-z mixed)], + m2[*Incident Direction*], m4[z], m4[x], m(9)[between z and x, 20#sym.degree to z], + m2[*Notation of Mode*], [TO-x], [TO-y], m2[LO], m2[TO-z], [TO-y], [LO], m4[TO-xz], [TO-y], m4[LO], table.cell(rowspan: 2)[*Representation*], - [C#sub[6v]], m2(E1), m2(A1), m(13, NA), [C#sub[2v]], B2, B1, m2(A1), m2(A1), B2, B1, m(9, NA), + [C#sub[6v]], m2(E1), m2(A1), m4(NA), table.cell(rowspan: 2, colspan: 9, NA), + [C#sub[2v]], B1, B2, m2(A1), m2(A1), B2, B1, +// TODO: 以下数据需要重新计算，因为x和y换过一次 table.cell(rowspan: 2)[*Raman Tensor*], [Non-zero components], [xz], [yz], [xx, yy], [zz], // z @@ -31,12 +31,10 @@ m2[53.52], [58.26], [464.69], // z [58.26], [454.09], [53.52], [53.55], // y m2[53.71], [3.20], [425.98], [53.56], m2[3.60], [50.36], [27.99], // 45 y&z - m2[*Visible in Common Raman Experiment*], m(17)[Yes], m2[*Wavenumber (Simulation) (cm#super[-1])*], // z y 45 y&z - m2[776.57], m2[933.80], m2[761.80], [776.57], [941.33], m(4)[762.76], [776.57], m(4)[940.86], - m2[*Electrical Polarity*], m(17)[Strong] + m2[776.57], m2[933.80], m2[761.80], [776.57], [941.33], m(4)[762.76], [776.57], m(4)[940.86] )}, caption: [Strong-polarized phonons near $Gamma$ point], ) -] + diff --git a/画图/入射角度与偏移/1.svg b/画图/入射角度与偏移/1.svg index 0731ab4..be5826e 100644 --- a/画图/入射角度与偏移/1.svg +++ b/画图/入射角度与偏移/1.svg @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:298ed7b12489d33e397e9d132fb3b6d72030fdb86fc28c70ce36fe6551ac2a99 -size 45774 +oid sha256:91d16258b2bd216ec44cc377ec3d01b952e214ae542c1098d2b64ced839e0a92 +size 67926 diff --git a/画图/入射角度与偏移/2.svg b/画图/入射角度与偏移/2.svg deleted file mode 100644 index 3b9edce..0000000 --- a/画图/入射角度与偏移/2.svg +++ /dev/null @@ -1,3 +0,0 @@ -version https://git-lfs.github.com/spec/v1 -oid sha256:9f0f2938ec4413282d9aaa61d557fc4ba62a857d284131cbc7f615587159ef0b -size 37287 diff --git a/画图/入射角度与偏移/embed.svg b/画图/入射角度与偏移/embed.svg index 8f1d096..446ef8c 100644 --- a/画图/入射角度与偏移/embed.svg +++ b/画图/入射角度与偏移/embed.svg @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:8a74db10dbb4e90c3af61d1d9ad14939b4f85b5f18ec922795e5d268a69384f9 -size 466234 +oid sha256:8b8134b1d918b38a8ac568cb7721c82aded6494b8418807492aa7ad812267949 +size 463406 diff --git a/画图/入射角度与偏移/main.svg b/画图/入射角度与偏移/main.svg index 280c794..be89464 100644 --- a/画图/入射角度与偏移/main.svg +++ b/画图/入射角度与偏移/main.svg @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:6d0a9888e5e5d66a37bc903aa9bc7f199f1597b9e10c0efef60ef41d819f8da7 -size 49004 +oid sha256:eb024734c447a43e7415fcdca45ed77f8de557b60a5972720fdfac7e9d1f65d1 +size 63715 diff --git a/画图/入射角度与偏移/nopo.svg b/画图/入射角度与偏移/nopo.svg index 1711da5..a1bd7fb 100644 --- a/画图/入射角度与偏移/nopo.svg +++ b/画图/入射角度与偏移/nopo.svg @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:e58253231337255858e6bb0c23f5e50ca889c183066c462b8f145a1efeb2422a -size 142109 +oid sha256:7b0f0958dd5536a902d4c6c7e4469c9bb52b4171cc1a956c4228eec1a3b628cb +size 143910 diff --git a/画图/入射角度与偏移/plot.ipynb b/画图/入射角度与偏移/plot.ipynb index 4d0c81a..51ef77d 100644 --- a/画图/入射角度与偏移/plot.ipynb +++ b/画图/入射角度与偏移/plot.ipynb @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:9d74010fc6ace3b1080a370d2b1f8d26eb25e79c3596c2e902bc1f68b932afe9 -size 147136 +oid sha256:7472b062902d186c2b6744cbcf6b3f37b8e9c777b194ee8b6c777f276b0e2fb5 +size 140250 diff --git a/画图/入射角度与偏移/po.svg b/画图/入射角度与偏移/po.svg index b1f7246..ece0579 100644 --- a/画图/入射角度与偏移/po.svg +++ b/画图/入射角度与偏移/po.svg @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:c58f8426ae32e808935bc4aecf7aed771682261e1956f90178fd8ffe986c550f -size 68366 +oid sha256:dce81513eb89503107f3265dbe0b9e4bf7e994364144dc6f109554a85b87d8cb +size 69381 diff --git a/画图/拉曼整体图/embed.svg b/画图/拉曼整体图/embed.svg index 4c8ba34..b10f2e5 100644 --- a/画图/拉曼整体图/embed.svg +++ b/画图/拉曼整体图/embed.svg @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:1ed3e0ae35b9ca5a6c07da0922cbe40bcea821eddd625d85e5ce4dca6c680c7e -size 1851769 +oid sha256:56a341ffdc12d68c4426c0d790baadd6f0c42a1166d73865b654e2e119fc1fc4 +size 1851786 diff --git a/画图/拉曼整体图/main.svg b/画图/拉曼整体图/main.svg index 9c551ae..9cdd6b5 100644 --- a/画图/拉曼整体图/main.svg +++ b/画图/拉曼整体图/main.svg @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:cfb348fd3b22aca363fc5a679967f16a8c3d1c7d65cd33c1bba8039c8c55ef96 -size 320992 +oid sha256:7a67fecc271a8f2b982cddfc42445f8a5aa6814f8d32b6db483a64551c245d67 +size 321007