From 0209b30e76395300bcb4d51c1628fbcd6f2573e8 Mon Sep 17 00:00:00 2001 From: guanjihuan Date: Mon, 16 May 2022 05:58:21 +0800 Subject: [PATCH] update --- ...graphene_under_broken_inversion_symmery.py | 86 ++++++++++--------- .../Berry_curvature_distribution_with_ky=0.py | 6 +- ...ken_inversion_symmery_with_Kubo_formula.py | 2 +- ...oken_inversion_symmery_with_Wilson_loop.py | 2 +- ...rsion_symmery_with_the_efficient_method.py | 2 +- 5 files changed, 51 insertions(+), 47 deletions(-) diff --git a/academic_codes/2021.01.10_Berry_curvature_distribution_of_graphene_under_broken_inversion_symmery/Berry_curvature_distribution_of_graphene_under_broken_inversion_symmery.py b/academic_codes/2021.01.10_Berry_curvature_distribution_of_graphene_under_broken_inversion_symmery/Berry_curvature_distribution_of_graphene_under_broken_inversion_symmery.py index 7e455dd..3992df8 100755 --- a/academic_codes/2021.01.10_Berry_curvature_distribution_of_graphene_under_broken_inversion_symmery/Berry_curvature_distribution_of_graphene_under_broken_inversion_symmery.py +++ b/academic_codes/2021.01.10_Berry_curvature_distribution_of_graphene_under_broken_inversion_symmery/Berry_curvature_distribution_of_graphene_under_broken_inversion_symmery.py @@ -10,7 +10,7 @@ import cmath import time -def hamiltonian(k1, k2, t1=2.82*sqrt(3)/2, a=1/sqrt(3)): # 石墨烯哈密顿量（a为原子间距，不赋值的话默认为1/sqrt(3)） +def hamiltonian(k1, k2, t1=2.82, a=1/sqrt(3)): # 石墨烯哈密顿量（a为原子间距，不赋值的话默认为1/sqrt(3)） h = np.zeros((2, 2))*(1+0j) h[0, 0] = 0.28/2 h[1, 1] = -0.28/2 @@ -67,12 +67,19 @@ def main(): F_all[i0, j0] = np.real(F) i0 += 1 j0 += 1 - plot_matrix(kx_array/pi, ky_array/pi, F_all, band) - write_matrix(kx_array/pi, ky_array/pi, F_all, band) + + if band==0: + plot_3d_surface(kx_array/pi, ky_array/pi, F_all, xlabel='kx', ylabel='ky', zlabel='Berry curvature', title='Valence Band', rcount=300, ccount=300) + else: + plot_3d_surface(kx_array/pi, ky_array/pi, F_all, xlabel='kx', ylabel='ky', zlabel='Berry curvature', title='Conductance Band', rcount=300, ccount=300) + # import guan + # if band==0: + # guan.plot_3d_surface(kx_array/pi, ky_array/pi, F_all, xlabel='kx', ylabel='ky', zlabel='Berry curvature', title='Valence Band', rcount=300, ccount=300) + # else: + # guan.plot_3d_surface(kx_array/pi, ky_array/pi, F_all, xlabel='kx', ylabel='ky', zlabel='Berry curvature', title='Conductance Band', rcount=300, ccount=300) end_time = time.time() print('运行时间(min)=', (end_time-start_time)/60) - def find_vector_with_the_same_gauge(vector_1, vector_0): # 寻找近似的同一的规范 phase_1_pre = 0 @@ -109,43 +116,44 @@ def find_vector_with_the_same_gauge(vector_1, vector_0): # print('二分查找找到的规范=', phase) return vector_1 - -def plot_matrix(k1, k2, matrix, band): +def plot_3d_surface(x_array, y_array, matrix, xlabel='x', ylabel='y', zlabel='z', title='', fontsize=20, labelsize=15, show=1, save=0, filename='a', format='jpg', dpi=300, z_min=None, z_max=None, rcount=100, ccount=100): import matplotlib.pyplot as plt - from mpl_toolkits.mplot3d import Axes3D from matplotlib import cm - from matplotlib.ticker import LinearLocator, FormatStrFormatter - fig = plt.figure() - ax = fig.gca(projection='3d') - k1, k2 = np.meshgrid(k1, k2) - ax.plot_surface(k1, k2, matrix, cmap="rainbow", linewidth=0, antialiased=False) - plt.xlabel('kx') - plt.ylabel('ky') - ax.set_zlabel('Berry curvature') - if band==0: - plt.title('Valence Band') - else: - plt.title('Conductance Band') - plt.show() - - -def write_matrix(k1, k2, matrix, band): - import os - os.chdir('D:/data') # 设置路径 - with open('band='+str(band)+'.txt', 'w') as f: - # np.set_printoptions(suppress=True) # 取消输出科学记数法 - f.write('0 ') - for k10 in k1: - f.write(str(k10)+' ') - f.write('\n') - i0 = 0 - for k20 in k2: - f.write(str(k20)) - for j0 in range(k1.shape[0]): - f.write(' '+str(matrix[i0, j0])+' ') - f.write('\n') - i0 += 1 - + from matplotlib.ticker import LinearLocator + matrix = np.array(matrix) + fig, ax = plt.subplots(subplot_kw={"projection": "3d"}) + plt.subplots_adjust(bottom=0.1, right=0.65) + x_array, y_array = np.meshgrid(x_array, y_array) + if len(matrix.shape) == 2: + surf = ax.plot_surface(x_array, y_array, matrix, rcount=rcount, ccount=ccount, cmap=cm.coolwarm, linewidth=0, antialiased=False) + elif len(matrix.shape) == 3: + for i0 in range(matrix.shape[2]): + surf = ax.plot_surface(x_array, y_array, matrix[:,:,i0], rcount=rcount, ccount=ccount, cmap=cm.coolwarm, linewidth=0, antialiased=False) + ax.set_title(title, fontsize=fontsize, fontfamily='Times New Roman') + ax.set_xlabel(xlabel, fontsize=fontsize, fontfamily='Times New Roman') + ax.set_ylabel(ylabel, fontsize=fontsize, fontfamily='Times New Roman') + ax.set_zlabel(zlabel, fontsize=fontsize, fontfamily='Times New Roman') + ax.zaxis.set_major_locator(LinearLocator(5)) + ax.zaxis.set_major_formatter('{x:.2f}') + if z_min!=None or z_max!=None: + if z_min==None: + z_min=matrix.min() + if z_max==None: + z_max=matrix.max() + ax.set_zlim(z_min, z_max) + ax.tick_params(labelsize=labelsize) + labels = ax.get_xticklabels() + ax.get_yticklabels() + ax.get_zticklabels() + [label.set_fontname('Times New Roman') for label in labels] + cax = plt.axes([0.8, 0.1, 0.05, 0.8]) + cbar = fig.colorbar(surf, cax=cax) + cbar.ax.tick_params(labelsize=labelsize) + for l in cbar.ax.yaxis.get_ticklabels(): + l.set_family('Times New Roman') + if save == 1: + plt.savefig(filename+'.'+format, dpi=dpi) + if show == 1: + plt.show() + plt.close('all') if __name__ == '__main__': main() \ No newline at end of file diff --git a/academic_codes/2021.01.10_Berry_curvature_distribution_of_graphene_under_broken_inversion_symmery/Berry_curvature_distribution_with_ky=0.py b/academic_codes/2021.01.10_Berry_curvature_distribution_of_graphene_under_broken_inversion_symmery/Berry_curvature_distribution_with_ky=0.py index 37455f1..2cd576f 100644 --- a/academic_codes/2021.01.10_Berry_curvature_distribution_of_graphene_under_broken_inversion_symmery/Berry_curvature_distribution_with_ky=0.py +++ b/academic_codes/2021.01.10_Berry_curvature_distribution_of_graphene_under_broken_inversion_symmery/Berry_curvature_distribution_with_ky=0.py @@ -10,7 +10,7 @@ import cmath import time -def hamiltonian(k1, k2, t1=2.82*sqrt(3)/2, a=1/sqrt(3)): # 石墨烯哈密顿量（a为原子间距，不赋值的话默认为1/sqrt(3)） +def hamiltonian(k1, k2, t1=2.82, a=1/sqrt(3)): # 石墨烯哈密顿量（a为原子间距，不赋值的话默认为1/sqrt(3)） h = np.zeros((2, 2))*(1+0j) h[0, 0] = 0.28/2 h[1, 1] = -0.28/2 @@ -18,7 +18,6 @@ def hamiltonian(k1, k2, t1=2.82*sqrt(3)/2, a=1/sqrt(3)): # 石墨烯哈密顿 h[0, 1] = h[1, 0].conj() return h - def main(): start_time = time.time() n = 2000 # 取点密度 @@ -71,7 +70,6 @@ def main(): end_time = time.time() print('运行时间(min)=', (end_time-start_time)/60) - def find_vector_with_the_same_gauge(vector_1, vector_0): # 寻找近似的同一的规范 phase_1_pre = 0 @@ -108,7 +106,5 @@ def find_vector_with_the_same_gauge(vector_1, vector_0): # print('二分查找找到的规范=', phase) return vector_1 - - if __name__ == '__main__': main() \ No newline at end of file diff --git a/academic_codes/2022.04_21_Berry_curvature/Berry_curvature_distribution_of_graphene_under_broken_inversion_symmery_with_Kubo_formula.py b/academic_codes/2022.04_21_Berry_curvature/Berry_curvature_distribution_of_graphene_under_broken_inversion_symmery_with_Kubo_formula.py index 382c350..2ea3bbb 100644 --- a/academic_codes/2022.04_21_Berry_curvature/Berry_curvature_distribution_of_graphene_under_broken_inversion_symmery_with_Kubo_formula.py +++ b/academic_codes/2022.04_21_Berry_curvature/Berry_curvature_distribution_of_graphene_under_broken_inversion_symmery_with_Kubo_formula.py @@ -9,7 +9,7 @@ from math import * import cmath -def hamiltonian(k1, k2, t1=2.82*sqrt(3)/2, a=1/sqrt(3)): # 石墨烯哈密顿量（a为原子间距，不赋值的话默认为1/sqrt(3)） +def hamiltonian(k1, k2, t1=2.82, a=1/sqrt(3)): # 石墨烯哈密顿量（a为原子间距，不赋值的话默认为1/sqrt(3)） h = np.zeros((2, 2))*(1+0j) h[0, 0] = 0.28/2 h[1, 1] = -0.28/2 diff --git a/academic_codes/2022.04_21_Berry_curvature/Berry_curvature_distribution_of_graphene_under_broken_inversion_symmery_with_Wilson_loop.py b/academic_codes/2022.04_21_Berry_curvature/Berry_curvature_distribution_of_graphene_under_broken_inversion_symmery_with_Wilson_loop.py index 0bcef0c..d9093fd 100644 --- a/academic_codes/2022.04_21_Berry_curvature/Berry_curvature_distribution_of_graphene_under_broken_inversion_symmery_with_Wilson_loop.py +++ b/academic_codes/2022.04_21_Berry_curvature/Berry_curvature_distribution_of_graphene_under_broken_inversion_symmery_with_Wilson_loop.py @@ -9,7 +9,7 @@ from math import * import cmath -def hamiltonian(k1, k2, t1=2.82*sqrt(3)/2, a=1/sqrt(3)): # 石墨烯哈密顿量（a为原子间距，不赋值的话默认为1/sqrt(3)） +def hamiltonian(k1, k2, t1=2.82, a=1/sqrt(3)): # 石墨烯哈密顿量（a为原子间距，不赋值的话默认为1/sqrt(3)） h = np.zeros((2, 2))*(1+0j) h[0, 0] = 0.28/2 h[1, 1] = -0.28/2 diff --git a/academic_codes/2022.04_21_Berry_curvature/Berry_curvature_distribution_of_graphene_under_broken_inversion_symmery_with_the_efficient_method.py b/academic_codes/2022.04_21_Berry_curvature/Berry_curvature_distribution_of_graphene_under_broken_inversion_symmery_with_the_efficient_method.py index e069b1d..340d523 100644 --- a/academic_codes/2022.04_21_Berry_curvature/Berry_curvature_distribution_of_graphene_under_broken_inversion_symmery_with_the_efficient_method.py +++ b/academic_codes/2022.04_21_Berry_curvature/Berry_curvature_distribution_of_graphene_under_broken_inversion_symmery_with_the_efficient_method.py @@ -9,7 +9,7 @@ from math import * import cmath -def hamiltonian(k1, k2, t1=2.82*sqrt(3)/2, a=1/sqrt(3)): # 石墨烯哈密顿量（a为原子间距，不赋值的话默认为1/sqrt(3)） +def hamiltonian(k1, k2, t1=2.82, a=1/sqrt(3)): # 石墨烯哈密顿量（a为原子间距，不赋值的话默认为1/sqrt(3)） h = np.zeros((2, 2))*(1+0j) h[0, 0] = 0.28/2 h[1, 1] = -0.28/2