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guanjihuan
2022-05-16 05:58:21 +08:00
parent ca30d29476
commit 0209b30e76
5 changed files with 51 additions and 47 deletions
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86
academic_codes/2021.01.10_Berry_curvature_distribution_of_graphene_under_broken_inversion_symmery/Berry_curvature_distribution_of_graphene_under_broken_inversion_symmery.py
View File

@@ -10,7 +10,7 @@ import cmath
import time 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 = np.zeros((2, 2))*(1+0j)
h[0, 0] = 0.28/2 h[0, 0] = 0.28/2
h[1, 1] = -0.28/2 h[1, 1] = -0.28/2
@@ -67,12 +67,19 @@ def main():
F_all[i0, j0] = np.real(F) F_all[i0, j0] = np.real(F)
i0 += 1 i0 += 1
j0 += 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() end_time = time.time()
print('运行时间(min)=', (end_time-start_time)/60) print('运行时间(min)=', (end_time-start_time)/60)
def find_vector_with_the_same_gauge(vector_1, vector_0): def find_vector_with_the_same_gauge(vector_1, vector_0):
# 寻找近似的同一的规范 # 寻找近似的同一的规范
phase_1_pre = 0 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) # print('二分查找找到的规范=', phase)
return vector_1 return vector_1
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):
def plot_matrix(k1, k2, matrix, band):
import matplotlib.pyplot as plt import matplotlib.pyplot as plt
from mpl_toolkits.mplot3d import Axes3D
from matplotlib import cm from matplotlib import cm
from matplotlib.ticker import LinearLocator, FormatStrFormatter from matplotlib.ticker import LinearLocator
fig = plt.figure() matrix = np.array(matrix)
ax = fig.gca(projection='3d') fig, ax = plt.subplots(subplot_kw={"projection": "3d"})
k1, k2 = np.meshgrid(k1, k2) plt.subplots_adjust(bottom=0.1, right=0.65)
ax.plot_surface(k1, k2, matrix, cmap="rainbow", linewidth=0, antialiased=False) x_array, y_array = np.meshgrid(x_array, y_array)
plt.xlabel('kx') if len(matrix.shape) == 2:
plt.ylabel('ky') surf = ax.plot_surface(x_array, y_array, matrix, rcount=rcount, ccount=ccount, cmap=cm.coolwarm, linewidth=0, antialiased=False)
ax.set_zlabel('Berry curvature') elif len(matrix.shape) == 3:
if band==0: for i0 in range(matrix.shape[2]):
plt.title('Valence Band') surf = ax.plot_surface(x_array, y_array, matrix[:,:,i0], rcount=rcount, ccount=ccount, cmap=cm.coolwarm, linewidth=0, antialiased=False)
else: ax.set_title(title, fontsize=fontsize, fontfamily='Times New Roman')
plt.title('Conductance Band') ax.set_xlabel(xlabel, fontsize=fontsize, fontfamily='Times New Roman')
plt.show() 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))
def write_matrix(k1, k2, matrix, band): ax.zaxis.set_major_formatter('{x:.2f}')
import os if z_min!=None or z_max!=None:
os.chdir('D:/data') # 设置路径 if z_min==None:
with open('band='+str(band)+'.txt', 'w') as f: z_min=matrix.min()
# np.set_printoptions(suppress=True) # 取消输出科学记数法 if z_max==None:
f.write('0 ') z_max=matrix.max()
for k10 in k1: ax.set_zlim(z_min, z_max)
f.write(str(k10)+' ') ax.tick_params(labelsize=labelsize)
f.write('\n') labels = ax.get_xticklabels() + ax.get_yticklabels() + ax.get_zticklabels()
i0 = 0 [label.set_fontname('Times New Roman') for label in labels]
for k20 in k2: cax = plt.axes([0.8, 0.1, 0.05, 0.8])
f.write(str(k20)) cbar = fig.colorbar(surf, cax=cax)
for j0 in range(k1.shape[0]): cbar.ax.tick_params(labelsize=labelsize)
f.write(' '+str(matrix[i0, j0])+' ') for l in cbar.ax.yaxis.get_ticklabels():
f.write('\n') l.set_family('Times New Roman')
i0 += 1 if save == 1:
plt.savefig(filename+'.'+format, dpi=dpi)
if show == 1:
plt.show()
plt.close('all')
if __name__ == '__main__': if __name__ == '__main__':
main() main()

6
academic_codes/2021.01.10_Berry_curvature_distribution_of_graphene_under_broken_inversion_symmery/Berry_curvature_distribution_with_ky=0.py
View File

@@ -10,7 +10,7 @@ import cmath
import time 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 = np.zeros((2, 2))*(1+0j)
h[0, 0] = 0.28/2 h[0, 0] = 0.28/2
h[1, 1] = -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() h[0, 1] = h[1, 0].conj()
return h return h
def main(): def main():
start_time = time.time() start_time = time.time()
n = 2000 # 取点密度 n = 2000 # 取点密度
@@ -71,7 +70,6 @@ def main():
end_time = time.time() end_time = time.time()
print('运行时间(min)=', (end_time-start_time)/60) print('运行时间(min)=', (end_time-start_time)/60)
def find_vector_with_the_same_gauge(vector_1, vector_0): def find_vector_with_the_same_gauge(vector_1, vector_0):
# 寻找近似的同一的规范 # 寻找近似的同一的规范
phase_1_pre = 0 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) # print('二分查找找到的规范=', phase)
return vector_1 return vector_1
if __name__ == '__main__': if __name__ == '__main__':
main() main()

2
academic_codes/2022.04_21_Berry_curvature/Berry_curvature_distribution_of_graphene_under_broken_inversion_symmery_with_Kubo_formula.py
View File

@@ -9,7 +9,7 @@ from math import *
import cmath 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 = np.zeros((2, 2))*(1+0j)
h[0, 0] = 0.28/2 h[0, 0] = 0.28/2
h[1, 1] = -0.28/2 h[1, 1] = -0.28/2

2
academic_codes/2022.04_21_Berry_curvature/Berry_curvature_distribution_of_graphene_under_broken_inversion_symmery_with_Wilson_loop.py
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@@ -9,7 +9,7 @@ from math import *
import cmath 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 = np.zeros((2, 2))*(1+0j)
h[0, 0] = 0.28/2 h[0, 0] = 0.28/2
h[1, 1] = -0.28/2 h[1, 1] = -0.28/2

2
academic_codes/2022.04_21_Berry_curvature/Berry_curvature_distribution_of_graphene_under_broken_inversion_symmery_with_the_efficient_method.py
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@@ -9,7 +9,7 @@ from math import *
import cmath 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 = np.zeros((2, 2))*(1+0j)
h[0, 0] = 0.28/2 h[0, 0] = 0.28/2
h[1, 1] = -0.28/2 h[1, 1] = -0.28/2