Python Tight-Binding三角格子单带五近邻解析拟合

 

import matplotlib.pyplot as plt
from numpy import sqrt, sin, cos, pi
import numpy as np


# Gamma-M-K-Gamma
N_G_M = 50
N_M_K = 20

kx = []
ky = []

kx_G_M = [0 for i in range(N_G_M)]
ky_G_M = [i * pi / N_G_M  for i in range(N_G_M)]

kx.extend(kx_G_M)
ky.extend(ky_G_M)


kx_M_K = [i * pi / sqrt(3) /N_M_K for i in range(N_M_K)]
ky_M_K = [pi for i in range(N_M_K)]

kx.extend(kx_M_K)
ky.extend(ky_M_K)

N_K_G = 50
kx_K_G = [i * pi / sqrt(3) /N_K_G for i in range(N_K_G, 0, -1)]
ky_K_G = [i * pi / N_K_G  for i in range(N_K_G, 0, -1)]

kx.extend(kx_K_G)
ky.extend(ky_K_G)


xi = 0.5 * np.array(kx)
eta = 0.5 * sqrt(3) * np.array(ky)

ef = -1.3286
t0 = -1.342598
t1 = -0.034210 
tk1 = t1*(2*cos(xi)*cos(eta) + cos(2*xi))
t2 = 0.095418
tk2 = t2*(2*cos(3*xi)*cos(eta) + cos(2*eta))
t3 = -0.066211
tk3 = t3*(2*cos(2*xi)*cos(2*eta) + cos(4*xi))
t4  = 0.017464
tk4 = t4*(2*cos(xi)*cos(3*eta) + cos(5*xi)*cos(eta) + cos(4*xi)*cos(2*eta))
t5  = -0.025817 
tk5 = t5*(2*cos(3*xi)*cos(3*eta) + cos(6*xi))
Ek = t0 + tk1 + tk2 + tk3 + tk4 + tk5 -ef

plt.plot(Ek)

plt.show()

 

 

    0    0    0    1    1   -1.342598    0.000000

    0    1    0    1    1   -0.034210    0.000000

   2    1    0    1    1    0.095418

    0    2    0    1    1   -0.066211   -0.000000

    0    3    0    1    1   -0.025817    0.000000

    0    4    0    1    1   -0.010039    0.000000