mass)
## Calculate MBZ and choose some K-points for the k-path
vor_m = Voronoi(rec_moire_lattice)
sorted_vertices = np.array(
sorted(vor_m.vertices, key=lambda x: np.abs(x.view(complex))))[:6]
sorted_vertices = np.array(
sorted(sorted_vertices, key=lambda x: np.angle(x.view(complex))))
points = np.array([[0, 0], sorted_vertices[0], sorted_vertices[1],
sorted_vertices[3]])
k_names = [r"$\gamma$", r"$\kappa'$", r"$\kappa''$", r"$\kappa$"]
path = bandcalc.generate_k_path(points, N)
## Calculate bandstructure
bandstructure, prefix = bandcalc.get_unit_prefix(
bandcalc.calc_bandstructure(path, hamiltonian))
sorted_bandstructure = np.sort(bandstructure)
fig, ax = plt.subplots(nrows=7, ncols=2, figsize=(7, 20))
for i in range(7):
## Calculate the wannier function
R = 1 / 3 * (moire_lattice[5] + moire_lattice[3] +
moire_lattice[6]).astype(np.float32)
r = 5 * bandcalc.generate_monkhorst_pack_set(m, 80)
wannier_function = bandcalc.calc_wannier_function_gpu(hamiltonian,
k_points,
rec_moire_lattice,
r,
R,
moire_lattice = bc.generate_lattice_by_shell(m, 2)
# Moire potential coefficients
Vj = np.array([V if i%2 else np.conjugate(V) for i in range(1, 7)])
potential_matrix = bc.calc_potential_matrix_from_coeffs(rec_moire_lattice, Vj)
k_points = bc.generate_monkhorst_pack_set(rec_m, 40)
## Calculate the band structure
# The bandstructure is slightly different from the bandstructure in the
# original paper, but that is most likely just a small difference in
# some parameters, like the lattice constants
hamiltonian = bc.calc_hamiltonian(rec_moire_lattice, potential_matrix, mass)
bandstructure = np.sort(
np.real(
bc.calc_bandstructure(k_points, hamiltonian)
)
)*1e3 # in meV
cell_area = bc.get_volume_element_regular_grid(moire_lattice)
n = filling/cell_area
mu = bc.calc_mu_of_n_boson(bandstructure, k_points, temperature)(np.log10(n))
res.append(mu)
print(f"{angle:.2f}°")
res = np.array(res)
print(res)
np.save(f"mu_meV_{system_str}_{filling}_filling_{temperature}K.npy", res)