Thanks a lot for clarifying my doubts, just first I wanted to observed deformation and now I will be trying to incorporate hopping parametrization.

Regards,

Shrushti

On Fri, Jul 23, 2021 at 3:32 PM Adel Belayadi <adelphys@gmail.com> wrote:

Dear Shrushti,

From a tight binding point of view, once we have defined our lattice and shape, we need to care about the hopping and on-site energy, not the positions. In your case and in order to parameterise the hopping in the strained region you need to know the position transforms. In fact, parameterizing the hopping is the most important task. In strained graphene, parameterising the hopping is somehow similar to adding a magnetic field in the system.

In your script you have written: syst=pos_transform((5,0),0.05,pi/2)This is completely wrong and Kwant will not be able to recognize the system. Since you are recently discovering Kwant, I recommend you to go through Kwant FAQ: https://kwant-project.org/doc/dev/tutorial/faq

Back to your issue, I guess you are caring to see the strained shape. In this case, you need to use pos_transorm

like:kwant.plot(syst, pos_transform=lambda pos: pos_transform(pos,c=c,angle=angle),Just one more thing, donot forget to uncomment hoppings = (((0, 0), a, b), ((0, 1), a, b), ((-1, 1), a, b)) syst[[kwant.builder.HoppingKind(*hopping) for hopping in hoppings]] = t otherwise you will not be able to see the strained position.

Finally, you need to focus on using the correct hopping Best Adel

Le jeu. 22 juil. 2021 à 09:48, Shrushti Tapar <shrushti.tapar07@gmail.com> a écrit :Dear Adel Belayadi,I am new to Kwant, as per our previous discussion, here I am attaching my program, I have defined my strain region and function for uniaxial strain in armchair direction. Now I struggling withhow to introduce this functionin the program. Please correct me if I have understood it wrongly, Firstly we have to define graphene, by using the position of lattice points we have to apply pos_transform in a specified region, which will use the values of x and y co-ordinate from lattice placement due to lattice structure. The next doubt is like, as I using uniaxial strain in Y direction, it will squeeze lattice in X direction. So, the unstrained lattice point also has to shift accordingly. Right now I am only focusing on position displacement and not hopping.import numpy as np

import scipy.io as spio

from numpy import *

import scipy.linalg as la

import matplotlib as mpl

import sympy as sym

import kwant

#%%######################

# parameters

L=20 # Length of device on both sides

W=5 # Width of device

t=-2.7

pot=0.5

c=0.05

angle=pi/2

# lattice type

graphene = kwant.lattice.general([(1, 0), (sin(pi/6), cos(pi/6))],

[(0, 0), (0, 1 / sqrt(3))],

norbs=1)

a, b = graphene.sublattices

# scattering region

def rectangle(pos):

x, y = pos

return 0 <= x <= L and 0<= y <= W

# strain_pos

def pos_transform(pos,c,angle):

x,y= pos

if 5<x<10:

ux=(cos(angle)**2-0.165*sin(angle)**2)*c*x

uy=(sin(angle)**2-0.165*cos(angle)**2)*c*y

return x+ux,y+uy

else:

return x,y

syst = kwant.Builder()

syst[graphene.shape(rectangle, (0, 0))] = 0

syst=pos_transform((5,0),0.05,pi/2)

#hoppings = (((0, 0), a, b), ((0, 1), a, b), ((-1, 1), a, b))

#syst[[kwant.builder.HoppingKind(*hopping) for hopping in hoppings]] = t

kwant.plot(syst);Thanks in advance.Regards,shrushtiOn Fri, Jul 16, 2021 at 2:38 AM Adel Belayadi <adelphys@gmail.com> wrote:Dear Shrushti,it is straightforward to deal with strained graphene.In the region you want to make strain, just set the function which modifies the site position (this mainly depends on the amount and type of the strain). Second, once you have shifted the site position you need to shift the hopping as illustrated in the file provided by Mr. Antonio.here you find a simple script about how to shift the site position in the case of uniaxial strain (adjusted to you case)def Triaxial_transform(pos, center, I): """ I is a parameter that lets us to control the intensity of the strain""" x, y = pos cx, cy = center[0], center[1] # the center of the strain r=sqrt((x-cx)**2+(y-cy)**2)

if r<sigma: ux = 2*I * x*y uy = I * (x**2 - y**2) return x + ux, y + uy else: return x, yThen use this position to set your hopping as illustrated in a previous discussion [Ref-1].You have to be careful in case you are using a strain in the z axis since you will not be able to plot the current. It is somehow tricky in this scenario.I hop this will helpBest wishesLe jeu. 15 juil. 2021 à 14:19, <shrushti.tapar07@gmail.com> a écrit :I want to create the graphene strained superlattice-like structure, having uniaxial strain defined at the specified region. Please, someone can suggest to me how to define the strained region and interface between unstrained and strained graphene regions.

Thanks in Advance

Shrushti