def __create_supercell_hamiltonian(self, nnfile, height, length):
unitcells = length * 2
ham = Hamiltonian.from_nth_nn_list(nnfile)
ham3 = ham.create_supercell_hamiltonian(
[[i, j, 0] for j in range(height) for i in range(unitcells)],
[[unitcells, 0, 0], [0, height, 0], [0, 0, 1]])
#ham4 = ham3.create_modified_hamiltonian(
# ham3.drop_dimension_from_cell_list(1))
return ham3
def __create_supercell_hamiltonian(self, nnfile, height, length):
unitcells=length*2
ham = Hamiltonian.from_nth_nn_list(nnfile)
ham3 = ham.create_supercell_hamiltonian(
[[i, j, 0] for j in range(height) for i in range(unitcells)],
[[unitcells, 0, 0], [0, height, 0], [0, 0, 1]])
#ham4 = ham3.create_modified_hamiltonian(
# ham3.drop_dimension_from_cell_list(1))
return ham3
def __create_hamiltonian(self, nnfile, height, length, rib_ham=True):
"""
Creates a graphene rectangle Hamiltonian from a nearest neighbour
parameter file.
nnfile: path to a nearest-neighbour parameter file.
height: height of the rectangle in 4-atom unitcells (nr of atoms = 4*height*length)
length: length of the rectangle (nr of stripes)
Return:
ham: Hamiltonian of the graphene unitcell.
ham5: Hamiltonian of the graphene rectangle.
if ham5 is not needed, to speed up the code use rib_ham=False
"""
unitcells = height
ham = Hamiltonian.from_nth_nn_list(nnfile)
ham2 = ham.create_supercell_hamiltonian(
[[0, 0, 0], [1, 0, 0]], [[1, -1, 0], [1, 1, 0], [0, 0, 1]])
if rib_ham:
ham3 = ham2.create_supercell_hamiltonian(
[[0, i, 0] for i in range(unitcells)],
[[1, 0, 0], [0, unitcells, 0], [0, 0, 1]])
ham4 = ham3.create_modified_hamiltonian(
ham3.drop_dimension_from_cell_list(1))
ham5 = ham4.create_supercell_hamiltonian(
[[i, 0, 0] for i in range(length)],
[[length, 0, 0], [0, 1, 0], [0, 0, 1]])
return ham, ham2, ham5
else:
return ham, ham2, ham2
def __create_hamiltonian(self, nnfile, height, length, rib_ham=True):
"""
Creates a graphene rectangle Hamiltonian from a nearest neighbour
parameter file.
nnfile: path to a nearest-neighbour parameter file.
height: height of the rectangle in 4-atom unitcells (nr of atoms = 4*height*length)
length: length of the rectangle (nr of stripes)
Return:
ham: Hamiltonian of the graphene unitcell.
ham5: Hamiltonian of the graphene rectangle.
if ham5 is not needed, to speed up the code use rib_ham=False
"""
unitcells=height
ham = Hamiltonian.from_nth_nn_list(nnfile)
ham2 = ham.create_supercell_hamiltonian(
[[0, 0, 0], [1, 0, 0]],
[[1, -1, 0], [1, 1, 0], [0, 0, 1]])
if rib_ham:
ham3 = ham2.create_supercell_hamiltonian(
[[0, i, 0] for i in range(unitcells)],
[[1, 0, 0], [0, unitcells, 0], [0, 0, 1]])
ham4 = ham3.create_modified_hamiltonian(
ham3.drop_dimension_from_cell_list(1))
ham5 = ham4.create_supercell_hamiltonian([[i, 0, 0] for i in range(
length)], [[length, 0, 0], [0, 1, 0], [0, 0, 1]])
return ham, ham2, ham5
else:
return ham, ham2, ham2
