How to introduce buckling in monolayer buckled Xenes like silicene, germanene, stanene etc.
Hello, I want to introduce buckling term to the lattice structure of buckled monolayer Xenes like silicene, germanene, stanene etc. to differentiate them from planar graphene. Will the lattice structure be able to show the buckling ? Thanks and Regards, Swastik Sahoo. Research Scholar, EE Dept. IIT Bombay. Ph. No- 9980387383 mail id:- swastik.sahoo79@gmail.com swastik@ee.iitb.ac.in
Dear Swastick, If your question concerns visualizing a deformed system (Nanobubbles in graphene for example) you can do that as follow: 1) Define a new graphene lattice (use: kwant.lattice.general) and introduce the z -component in the vectors and unit cell. 2) Use the option : pos_transform in kwant.plotter.plot to show the buckling. kwant.plotter.plot(*sys*, *num_lead_cells=2*, *unit='nn'*, *site_symbol=None*, *pos_transform=None*) *pos_transform: *function or *None* Transformation to be applied to the site position. A result of such use can be seen in this paper [1] If you want to find how to study quantum transport in deformed systems you can proceed the following way (example of graphene): 1) Keep your system in 2D and not deformed (this will save your memory needs and speed up the calculation) 2) Modify the hopping of the system as induced by the deformation. Example: # deformation shape def z(x,y): a=0.3 return exp(-a*(x**2+y**2)) def hop(site1,site2) beta=3.37 x1,y1=site1.pos x2,y2=site2.pos d0=sqrt((x1-x2)**2+(y1-y2)**2) #distance between connected sites without deformation d=sqrt((x1-x2)**2+(y1-y2)**2+ (z(x1,y1)-z(x2,y2))**2) # distance after deformation t=t0* exp(- beta*(d/d0)**2-1) # the change in the hopping due to the deformation return t I hope this helps, Adel [1] Phys. Rev. B *105*, 075425 (2022) On Thu, Oct 26, 2023 at 5:12 AM Swastik Sahoo <swastik.sahoo79@gmail.com> wrote:
-- Abbout Adel
Dear Adel, Thank you so much for the response. I will try this method.
participants (3)
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Abbout Adel
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Swastik Sahoo
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swastik.sahoo79@gmail.com