先用Wannier90拟合输出hr.dat文件,人工读取hr.dat文件中的hopping参数,通过pybinding算对应的能带
色散高度依赖于参数,需要刻画出特征还需要进一步想办法
import pybinding as pb
import numpy as np
import matplotlib.pyplot as plt
from math import sqrt, pi
pb.pltutils.use_style()
d = 1 # [nm] unit cell length
t = 1 # [eV] hopping energy
rt3 = sqrt(3)
e1 = -0.699734+1.3285
delta1 = -0.027311
h0 = [[e1,delta1,delta1],[delta1,e1,delta1],[delta1,delta1,e1]]
t1_11 = -0.248774
t1_21 = -0.033678
t1_31 = -0.015000
t1_12 = -0.064970
t1_22 = 0.107549
t1_32 = 0.062797
t1_13 = -0.098159
t1_23 = 0.013446
t1_33 = 0.107787
T1_01 = [[t1_11,t1_12,t1_13],[t1_21,t1_22,t1_23],[t1_31,t1_32,t1_33]]
T1_10 = [[t1_33,t1_13,t1_23],[t1_31,t1_11,t1_21],[t1_32,t1_12,t1_22]]
T1_11 = [[t1_22,t1_23,t1_21],[t1_32,t1_33,t1_31],[t1_12,t1_13,t1_11]]
t2_11 = 0.024829
t2_21 = -0.071677
t2_31 = 0.002483
t2_12 =