Lattice TB

latticeTB creates finite two dimensional lattices.

latticeTB can:

  • create a generic lattice defined by:

    • position of the sites within the unit cell.
    • number of cells along x and y.
    • norm of the two primitive vectors (chosen to be egal).
    • angle between the two primitive vectors.

  • eliminate dangling sites (sites conneted to just another site).

  • eliminate selected sites.

Examples

Dimer chain

from latticeTB import *
from plotTB import *

nx, ny = 9, 1
ri = [[0, 0], [1, 0]]
tags = [b'a', b'b']
lat_chain = latticeTB(tags=tags, ri=ri, nor=2, ang=0)
lat_chain.get_lattice(nx=nx, ny=ny)
fig_chain = lat_chain.plt_lattice(ms=10, figsize=(8, 1))
plt.show()
save_chain = saveFigTB(sys=lat_chain, dir_name='chain')
save_chain.save_fig_lat(fig_chain, 'lattice')
_images/lattice.png

Face centered square

from latticeTB import *
from plotTB import *
from math import pi

nx, ny = 10, 10
ri = [[0, 0], [1, 1]]
tags = [b'a', b'b']
lat_fcs = latticeTB(tags=tags, ri=ri, nor=2, ang=pi/2)
lat_fcs.get_lattice(nx=nx, ny=ny)
fig_fcs = lat_fcs.plt_lattice(ms=10)
plt.show()
save_fcs = saveFigTB(sys=lat_fcs, dir_name='fc_square')
save_fcs.save_fig_lat(fig_fcs, 'lattice')
_images/lattice1.png

Lieb lattice

from latticeTB import *
from plotTB import *
from math import pi

nx, ny = 6, 6
ri = [[0, 0], [1, 0], [0, 1]]
tags = [b'a', b'b', b'c']
lat_lieb = latticeTB(tags=tags, ri=ri, nor=2, ang=pi/2)
lat_lieb.get_lattice(nx=nx, ny=ny)
fig_lieb = lat_lieb.plt_lattice(ms=10)
lat_lieb.remove_dangling(nor_bond=1.)
fig_lieb_dang = lat_lieb.plt_lattice(ms=10)
plt.show()
save_lieb = saveFigTB(sys=fig_lieb_dang, dir_name='lieb')
save_lieb.save_fig_lat(fig_lieb, 'lattice')
save_lieb.save_fig_lat(fig_lieb_dang, 'lattice_dang')
_images/lattice2.png _images/lattice_dang.png

Graphene

from latticeTB import *
from plotTB import *
from math import pi

nx, ny = 7, 7
ri = [[0, 0], [0.5*sqrt(3), 0.5]]
tags = [b'a', b'b']
lat_graphene = latticeTB(tags=tags, ri=ri, nor=sqrt(3), ang=pi/3)
lat_graphene.get_lattice(nx=nx, ny=ny)
lat_graphene.remove_dangling(nor_bond=1.)
fig_graphene = lat_graphene.plt_lattice(ms=10, plt_label=True)
lat_graphene.remove_sites(44)
fig_graphene_rem = lat_graphene.plt_lattice(ms=10)
plt.show()
save_graphene = saveFigTB(sys=lat_graphene, dir_name='graphene')
save_graphene.save_fig_lat(fig_graphene, 'lattice')
save_graphene.save_fig_lat(fig_graphene_rem, 'lattice_rem')
_images/lattice3.png _images/lattice_rem.png

Kagome

from latticeTB import *
from plotTB import *
from math import pi

nx, ny = 7, 7
ri = [[0, 0], [1, 0], [1/2., sqrt(3)/2]]
tags = [b'a', b'b', b'c']
lat_kagome = latticeTB(tags=tags, ri=ri, nor=2, ang=pi/3)
lat_kagome.get_lattice(nx=nx, ny=ny)
fig_kagome = lat_kagome.plt_lattice(ms=10)
plt.show()
save_kagome = saveFigTB(sys=lat_kagome, dir_name='kagome')
save_kagome.save_fig_lat(fig_kagome, 'lattice')
_images/lattice4.png

Hexagon line centered

from latticeTB import *
from plotTB import *
from math import pi

nx, ny = 5, 5
ri = [[0, 0], [0.5*sqrt(3), 0.5], [0.25*sqrt(3), 0.25], [0.75*sqrt(3), 0.25], [0.5*sqrt(3), 1.]]
tags = [b'a', b'b', b'c', b'd', b'e']
hexa_lc = latticeTB(tags=tags, ri=ri, nor=sqrt(3), ang=pi/3)
hexa_lc.get_lattice(nx=nx, ny=ny)
fig_hexa_lc = hexa_lc.plt_lattice(colors=['b', 'b', 'r', 'r', 'r'], ms=10)
hexa_lc.remove_dangling(nor_bond=0.5)
fig_hexa_lc_dang = hexa_lc.plt_lattice(colors=['b', 'b', 'r', 'r', 'r'], ms=10)
plt.show()
save_hlc = saveFigTB(sys=hexa_lc, dir_name='hexa_lc')
save_hlc.save_fig_lat(fig_hexa_lc, 'lat')
save_hlc.save_fig_lat(fig_hexa_lc_dang, 'lat_dang')
_images/lat1.png _images/lat_dang.png

Feedback

Please send comments or suggestions for improvement to cpoli83 at hotmail dot fr