Dear Tavakkolidjawad,
Good day
Zinc blende and diamond have closely related structures. The key difference
between zinc blende and diamond structure is that zinc blende has both zinc
and sulfur atoms in its structure while diamond structure has only carbon
atoms in its structure. Additionally, alternative example is graphene and
h-BN (Hexagonal Boron Nitride) since both have the same lattice (honeycomb
lattice), but for the h-BN, the Onsite_energy_of_B differ from the
Onsite_ennergy_of_N that why we have a gap (masse term).
So what does this mean in your case. It means that we use the zinc blend
lattice as defined in kwant tutorial (the exact code you have written
down). Let as say
a1 , a2 = lat.sublattices
Here relevent_on_site_for_a1 = relevent_on_site_for_a2= Onsite
syst[a1.shape(cuboid_shape, (0, 0, 0))] = Onsite
syst[a2.shape(cuboid_shape, (0, 0, 0))] = Onsite
or simply use as was givene syst[lat.shape(cuboid_shape, (0, 0, 0))] =
Onsite
However in the zinc blende structure, we have to be cerful since
relevent_on_site_for_a1 does not equal relevent_on_site_for_a2. For this
purpose we write
syst[a1.shape(cuboid_shape, (0, 0, 0))] = relevent_on_site_for_a1
syst[a2.shape(cuboid_shape, (0, 0, 0))] = relevent_on_site_for_a2
## In the kwant example was left as None and is up to you to decide what to
do.
You have also to care about the hopping since you have a 3D shape.
import kwant
from matplotlib import pyplot
lat = kwant.lattice.general([(0, 0.5, 0.5), (0.5, 0, 0.5), (0.5, 0.5, 0)],
[(0, 0, 0), (0.25, 0.25, 0.25)], name=['a1',
'a2'])
a1, a2 = lat.sublattices
def make_cuboid(a=1.1, b=1.1, c=1.1):
def cuboid_shape(pos):
x, y, z = pos
return 0 <= x < a and 0 <= y < b and 0 <= z < c
syst = kwant.Builder()
syst[a1.shape(cuboid_shape, (0, 0, 0))] = 1 ## the same on-site foar a1
and b1
syst[a2.shape(cuboid_shape, (0, 0, 0))] = 1
syst[lat.neighbors()] = 1
return syst
def family_colors(site):
return 'r' if site.family == a1 else 'g'
### Conventional unit cell "FCC"
syst = make_cuboid(a=1.1, b=1.1, c=1.1)
kwant.plot(syst, site_size=0.18, site_lw=0.01, hop_lw=0.05,
site_color=family_colors)
pyplot.show()
Also, to see the unit cell of the system please see the following scryprt
#### To see the unit cell here the code
lat = kwant.lattice.general([(0, 0.5, 0.5), (0.5, 0, 0.5), (0.5, 0.5, 0)],
[(0, 0, 0), (0.25, 0.25, 0.25)])
a, b = lat.sublattices
def cuboid_shape(pos, a= 2, b = 2, c = 2):
x, y, z = pos
return 0 <= x < a and 0 <= y < b and 0 <= z < c
sym = kwant.TranslationalSymmetry(lat.vec((1, 0, 0)), lat.vec((0, 1, 0)),
lat.vec((0, 0, 1)))
syst = kwant.Builder(sym)
syst[lat.shape(cuboid_shape, (0, 0, 0))] = 1
syst[lat.neighbors(1)] = 1
def wraparound_syst(syst):
return kwant.wraparound.wraparound(syst).finalized()
unit_cell = wraparound_syst(syst)
kwant.plot(unit_cell, site_size=0.2, site_lw=0.012)
pyplot.show()
Ref[1]:
https://www.differencebetween.com/difference-between-zinc-blende-and-diamond-structure/
Hope was helpful
Regards, Adel
Le sam. 30 nov. 2019 à 07:15, tavakkolidjawad <tavakkolidja...@ut.ac.ir> a
écrit :
>
> Hi dears
>
> Based on the code for zincblende structure inside the Kwant website, I
> want to build a diamond lattice, but I don't know what I need to change in
> this code to create a diamond structure, also I need to create one lead for
> this structure.
>
> can you help me?
>
> Thank you in advance.
>
>
> >>>import kwant
> >>>from matplotlib import pyplot
>
> >>>lat = kwant.lattice.general([(0, 0.5, 0.5), (0.5, 0, 0.5), (0.5, 0.5,
> 0)],
> [(0, 0, 0), (0.25, 0.25,
> 0.25)])
> >>>a, b = lat.sublattices
>
> >>>def make_cuboid(a=15, b=10, c=5):
> def cuboid_shape(pos):
> x, y, z = pos
> return 0 <= x < a and 0 <= y < b and 0 <= z < c
>
> >>>syst = kwant.Builder()
> >>>syst[lat.shape(cuboid_shape, (0, 0, 0))] = None
> >>>syst[lat.neighbors()] = None
>
> >>>return syst
>
>
> >>>def main():
> >>># the standard plotting style for 3D is mainly useful for
> >>># checking shapes:
> >>>syst = make_cuboid()
>
> >>>kwant.plot(syst)
>
> >>># visualize the crystal structure better for a very small system
> >>>syst = make_cuboid(a=1.5, b=1.5, c=1.5)
>
> >>>def family_colors(site):
> return 'r' if site.family == a else 'g'
>
> >>>kwant.plot(syst, site_size=0.18, site_lw=0.01,
> hop_lw=0.05)#,site_color=family_colors)
>
> >>>if __name__ == '__main__':
> main()
>
