Files
SiC-2nd-paper/画图/拉曼结果拟合/251008/join_and_move.ipynb
2025-11-24 15:05:03 +08:00

2131 lines
1.7 MiBLFS

{
"cells": [
{
"cell_type": "code",
"execution_count": 1,
"id": "172c8f75",
"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
"'/home/chn/repo/SiC-2nd-paper'"
]
},
"execution_count": 1,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"import numpy as np\n",
"from scipy.optimize import curve_fit\n",
"import matplotlib.pyplot as plt\n",
"import plotly.graph_objects as go\n",
"import matplotlib\n",
"\n",
"def lorentzian(x, A, x0, gamma, k, b):\n",
" return A / (1 + ((x - x0) / gamma)**2) + k * x + b\n",
"def double_lorentzian(x, A1, x1, gamma1, A2, x2, gamma2, k, b):\n",
" return lorentzian(x, A1, x1, gamma1, k, b) + lorentzian(x, A2, x2, gamma2, 0, 0)\n",
"def triple_lorentzian(x, A1, x1, gamma1, A2, x2, gamma2, A3, x3, gamma3, k, b):\n",
" return lorentzian(x, A1, x1, gamma1, k, b) + lorentzian(x, A2, x2, gamma2, 0, 0) + lorentzian(x, A3, x3, gamma3, 0, 0)\n",
"%pwd"
]
},
{
"cell_type": "code",
"execution_count": 2,
"id": "3d6acae4",
"metadata": {},
"outputs": [],
"source": [
"def fitting_peek(x, y, x_range, function, guess, bound):\n",
" mask = (x > x_range[0]) & (x < x_range[1])\n",
" x = x[mask]\n",
" y = y[mask]\n",
" popt, pcov = curve_fit(function, x, y, p0=guess, maxfev=100000, bounds=bound)\n",
" return popt"
]
},
{
"cell_type": "code",
"execution_count": 3,
"id": "32f145e5",
"metadata": {},
"outputs": [],
"source": [
"fitting_init_parameter = [\n",
" [300, 196, 1, 2e3, 204, 0.8, 0, 900],\n",
" [50, 266, 5, 0, 100],\n",
" [1e3, 611, 5, 0, 100],\n",
" [1e4, 776, 1, 1e3, 797, 1, 1, 100],\n",
" [1e4, 776, 1, 1e4, 782, 1, 1e3, 797, 1, 1, 100],\n",
" [1e4, 776, 1, 1, 100]\n",
"]\n",
"fitting_range = [\n",
" [180, 220],\n",
" [250, 280],\n",
" [600, 617],\n",
" [700, 850],\n",
" [700, 850],\n",
" [769, 783]\n",
"]\n",
"fitting_bound = [\n",
" ([0, 192, 0, 0, 200, 0, -np.inf, -np.inf], [np.inf, 198, np.inf, np.inf, 206, np.inf, np.inf, np.inf]),\n",
" ([0, 260, 0, -np.inf, -np.inf], [np.inf, 270, np.inf, np.inf, np.inf]),\n",
" ([0, 605, 0, -np.inf, -np.inf], [np.inf, 617, np.inf, np.inf, np.inf]),\n",
" (-np.inf, np.inf),\n",
" (-np.inf, np.inf),\n",
" (-np.inf, np.inf)\n",
"]"
]
},
{
"cell_type": "code",
"execution_count": 4,
"id": "4dd7c5fd",
"metadata": {},
"outputs": [
{
"data": {
"application/vnd.plotly.v1+json": {
"config": {
"plotlyServerURL": "https://plot.ly"
},
"data": [
{
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",
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"source": [
"polarizations = [ \"zxxz\", \"zxyz\", \"xzyx\", \"xzzx\" ]\n",
"x = {p: [[None for h in range(2)] for s in range(10)] for p in polarizations}\n",
"y = {p: [[None for h in range(2)] for s in range(10)] for p in polarizations}\n",
"for p in [ \"xzyx\", \"xzzx\" ]:\n",
" for s in range(10):\n",
" for h, h_name in enumerate([ \"前\", \"后\" ]):\n",
" with open(f'画图/拉曼结果拟合/251008/2/{s+1}{p}{h_name}半.txt', 'r') as f:\n",
" lines = f.readlines()\n",
" x[p][s][h] = np.array([float(line.strip().split()[0]) for line in lines])\n",
" y[p][s][h] = np.array([float(line.strip().split()[1]) for line in lines])\n",
"for p in [ \"zxxz\", \"zxyz\" ]:\n",
" for h, h_name in enumerate([ \"前\", \"后\" ]):\n",
" with open(f'画图/拉曼结果拟合/251008/3/{p}{h_name}半.txt', 'r') as f:\n",
" lines = f.readlines()\n",
" for s in range(10):\n",
" x[p][s][h] = np.array([float(i) for i in lines[0].strip().split()])\n",
" y[p][s][h] = np.array([float(i) for i in lines[s+1].strip().split()[1:]])\n",
"fig = go.Figure()\n",
"for p in polarizations:\n",
" for s in range(10):\n",
" for h in range(2):\n",
" fig.add_trace(go.Scatter(x=x[p][s][h], y=y[p][s][h], mode='lines', name=f'{p} {s} {h}'))\n",
"fig.update_layout(width=1920, height=1080)\n",
"fig.show()"
]
},
{
"cell_type": "code",
"execution_count": 5,
"id": "371a2472",
"metadata": {},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"zxxz 0 0 609.4463508946071\n",
"zxxz 0 1 609.5299052470416\n",
"zxxz 1 0 609.4274177415145\n",
"zxxz 1 1 609.5631482297268\n",
"zxxz 2 0 609.4414261448094\n",
"zxxz 2 1 609.5630220196184\n",
"zxxz 3 0 609.4487423614369\n",
"zxxz 3 1 609.5582814070768\n",
"zxxz 4 0 609.4370297005886\n",
"zxxz 4 1 609.5370989860912\n",
"zxxz 5 0 609.4623878870086\n",
"zxxz 5 1 609.5396706426018\n",
"zxxz 6 0 609.4739233472512\n",
"zxxz 6 1 609.5420372707184\n",
"zxxz 7 0 609.4536059379856\n",
"zxxz 7 1 609.5425177283881\n",
"zxxz 8 0 609.4914435676533\n",
"zxxz 8 1 609.5333148803549\n",
"zxxz 9 0 609.5108680518651\n",
"zxxz 9 1 609.5078513629178\n",
"zxyz 0 0 609.4392783578178\n",
"zxyz 0 1 609.3837894081478\n",
"zxyz 1 0 609.4758183928802\n",
"zxyz 1 1 609.273379140957\n",
"zxyz 2 0 609.3711145751618\n",
"zxyz 2 1 609.4027628715418\n",
"zxyz 3 0 609.3663022714347\n",
"zxyz 3 1 609.4019177822707\n",
"zxyz 4 0 609.3388602080078\n",
"zxyz 4 1 609.3112753522099\n",
"zxyz 5 0 609.3102914796949\n",
"zxyz 5 1 609.2166211734358\n",
"zxyz 6 0 609.3199939258749\n",
"zxyz 6 1 609.4819704857896\n",
"zxyz 7 0 609.3764253448953\n",
"zxyz 7 1 609.3504775676316\n",
"zxyz 8 0 609.495851293656\n",
"zxyz 8 1 609.3408307761787\n",
"zxyz 9 0 609.4013192828216\n",
"zxyz 9 1 609.4888492567978\n",
"xzyx 0 0 609.4823821971429\n",
"xzyx 0 1 609.4319555609168\n",
"xzyx 1 0 609.3742176852636\n",
"xzyx 1 1 609.179505244727\n",
"xzyx 2 0 609.4223605955393\n",
"xzyx 2 1 609.3866428069908\n",
"xzyx 3 0 609.4538920296425\n",
"xzyx 3 1 609.348570932466\n",
"xzyx 4 0 609.4302252931441\n",
"xzyx 4 1 609.3886891608435\n",
"xzyx 5 0 609.3257450944963\n",
"xzyx 5 1 609.2722301383959\n",
"xzyx 6 0 609.3376842378663\n",
"xzyx 6 1 609.4212085092504\n",
"xzyx 7 0 609.3315250481903\n",
"xzyx 7 1 609.4342517483955\n",
"xzyx 8 0 609.4692005278619\n",
"xzyx 8 1 609.4527764473265\n",
"xzyx 9 0 609.533838916082\n",
"xzyx 9 1 609.4716664211759\n",
"xzzx 0 0 609.5640262619848\n",
"xzzx 0 1 609.4582980661536\n",
"xzzx 1 0 609.3370773998103\n",
"xzzx 1 1 609.2205090761742\n",
"xzzx 2 0 609.3449254814839\n",
"xzzx 2 1 609.3347610184608\n",
"xzzx 3 0 609.3708273206031\n",
"xzzx 3 1 609.309538931588\n",
"xzzx 4 0 609.3837824838968\n",
"xzzx 4 1 609.3735711894161\n",
"xzzx 5 0 609.2717862413493\n",
"xzzx 5 1 609.3957161952827\n",
"xzzx 6 0 609.4259479338341\n",
"xzzx 6 1 609.4765562337055\n",
"xzzx 7 0 609.3665455692745\n",
"xzzx 7 1 609.3856868805411\n",
"xzzx 8 0 609.4558110066552\n",
"xzzx 8 1 609.3654196827744\n",
"xzzx 9 0 609.4923865498746\n",
"xzzx 9 1 609.4897585279458\n",
"zxxz 0 776.2893116520686\n",
"zxxz 1 776.3184487722026\n",
"zxxz 2 776.317254414181\n",
"zxxz 3 776.3188275151141\n",
"zxxz 4 776.30653646946\n",
"zxxz 5 776.3065387178445\n",
"zxxz 6 776.2962725355518\n",
"zxxz 7 776.2826498898264\n",
"zxxz 8 776.2784983807264\n",
"zxxz 9 776.2749083013516\n",
"zxyz 0 776.2208601663714\n",
"zxyz 1 776.2201324747464\n",
"zxyz 2 776.2193944610012\n",
"zxyz 3 776.222309192649\n",
"zxyz 4 776.2507920113725\n",
"zxyz 5 776.2546399132369\n",
"zxyz 6 776.2524795331368\n",
"zxyz 7 776.2827250868943\n",
"zxyz 8 776.2787209418832\n",
"zxyz 9 776.2706794012984\n"
]
}
],
"source": [
"A11_shift = {p: [[None for h in range(2)] for s in range(10)] for p in polarizations}\n",
"for p in polarizations:\n",
" for s in range(10):\n",
" for h in range(2):\n",
" popt = fitting_peek(np.array(x[p][s][h]), np.array(y[p][s][h]), fitting_range[2], lorentzian, fitting_init_parameter[2], fitting_bound[2])\n",
" A11_shift[p][s][h] = popt[1]\n",
" print(f'{p} {s} {h} {A11_shift[p][s][h]}')\n",
" if A11_shift[p][s][h] < 609 or A11_shift[p][s][h] > 610:\n",
" print(error)\n",
"E23_shift = {p: [None for s in range(10)] for p in [ \"zxxz\", \"zxyz\" ]}\n",
"for p in [ \"zxxz\", \"zxyz\" ]:\n",
" for s in range(10):\n",
" popt = fitting_peek(np.array(x[p][s][1]), np.array(y[p][s][1]), fitting_range[5], lorentzian, fitting_init_parameter[5], fitting_bound[5])\n",
" E23_shift[p][s] = popt[1]\n",
" print(f'{p} {s} {E23_shift[p][s]}')\n",
" if E23_shift[p][s] < 776 or E23_shift[p][s] > 777:\n",
" print(error)"
]
},
{
"cell_type": "code",
"execution_count": 6,
"id": "8b220a8f",
"metadata": {},
"outputs": [],
"source": [
"# 对于正入射,将 E23 对齐到 776.5 然后再使用 A11 连接两段\n",
"# 对于 xzyx xzzx 将 A11 对齐到 609.484\n",
"x_combined = {p: [None for s in range(10)] for p in polarizations}\n",
"y_combined = {p: [None for s in range(10)] for p in polarizations}\n",
"for p in [ \"zxxz\", \"zxyz\" ]:\n",
" for s in range(10):\n",
" x_combined[p][s] = np.concatenate((x[p][s][0][:852] - A11_shift[p][s][0] + A11_shift[p][s][1] - E23_shift[p][s] + 776.5, x[p][s][1] - E23_shift[p][s] + 776.5))\n",
" y_combined[p][s] = np.concatenate((y[p][s][0][:852], y[p][s][1]))\n",
"for p in [ \"xzyx\", \"xzzx\" ]:\n",
" for s in range(10):\n",
" x_combined[p][s] = np.concatenate((x[p][s][0][:852] - A11_shift[p][s][0] + 609.484, x[p][s][1] - A11_shift[p][s][1] + 609.484))\n",
" y_combined[p][s] = np.concatenate((y[p][s][0][:852], y[p][s][1]))\n",
"for p in polarizations:\n",
" np.savetxt(f'画图/拉曼结果拟合/combined/substrate/{p}_x.txt', x_combined[p], fmt='%.6f')\n",
" np.savetxt(f'画图/拉曼结果拟合/combined/substrate/{p}_y.txt', y_combined[p], fmt='%.6f')"
]
}
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