idx = coo.data > d_min
abs_idx1 = np.flatnonzero(layer1)
abs_idx2 = np.flatnonzero(layer2)
row, col = abs_idx1[coo.row[idx]], abs_idx2[coo.col[idx]]
return row, col # lists of site indices to connect
@pb.hopping_energy_modifier
def interlayer_hopping_value(energy, x1, y1, z1, x2, y2, z2, hop_id):
"""Set the value of the newly generated hoppings as a function of distance"""
d = np.sqrt((x1 - x2)**2 + (y1 - y2)**2 + (z1 - z2)**2)
interlayer = (hop_id == 'interlayer')
energy[interlayer] = 0.4 * c0 / d[interlayer]
return energy
return rotate, interlayer_generator, interlayer_hopping_value
model = pb.Model(two_graphene_monolayers(), pb.circle(radius=1.5),
twist_layers(theta=21.798))
plt.figure(figsize=(6.5, 6.5))
model.plot(hopping=dict(width=1.6, cmap='auto'))
plt.title(r"$\theta$ = 21.798 $\degree$")
plt.show()
model = pb.Model(two_graphene_monolayers(), pb.circle(radius=1.5),
twist_layers(theta=12.95))
plt.figure(figsize=(6.5, 6.5))
model.plot(hopping=dict(width=1.6, cmap='auto'))
plt.title(r"$\theta$ = 12.95 $\degree$")
plt.show()
def make_model(radius, potential=0.2, magnetic_field=3):
return pb.Model(graphene.monolayer().with_min_neighbors(2),
pb.circle(radius),
circular_pn_junction(potential, radius),
graphene.constant_magnetic_field(magnetic_field))
def ring(inner_radius, outer_radius):
def contains(x, y, z):
r = np.sqrt(x**2 + y**2)
return np.logical_and(inner_radius < r, r < outer_radius)
return pb.FreeformShape(contains,
width=[2 * outer_radius, 2 * outer_radius])
#
# shape = ring(inner_radius=1.4, outer_radius=2)
# shape.plot()
rec = pb.rectangle(x=6, y=1)
hexa = pb.regular_polygon(num_sides=6, radius=1.92, angle=np.pi / 6)
cir = pb.circle(radius=0.6)
shape = rec + hexa - cir
model = pb.Model(
graphene.monolayer(),
# trapezoid(a=3.2, b=1.4, h=1.5)
# circle(radius=2.5)
shape)
model.plot()
# model.shape.plot()
# model = pb.Model(
# graphene.monolayer(),
# pb.primitive(a1=6, a2=6) # 在a1 a2方向上扩胞
# )
# model.plot()
plt.show()
# model = pb.Model(