Dear All, I am currently planning to work on stanene (2D tin), it is a quantum spin Hall insulator and other topological insulator. Majority of the work in this field is done by using VASP and other DFT code based tools. I would like to know if one can build topological insulators and 2D materials other than graphene (like stanene) in KWANT and compute it's electronic properties, such as edges states, chiral current etc. If yes can you can direct me to a resource or reference. Thank You,Ghadiyali Mohammed Kader,Research Scholar,Physics Dept.University of Mumbai.
Hi, Kwant is a package for simulating tight-binding models, with a focus on quantum transport. If you can construct a tight-binding model for your system, you can simulate it with Kwant. Obtaining a tight-binding model (e.g. using DFT to calculate tight-binding parameters) is outside the scope of Kwant. Hope that clarifies, Joe
Dear Joseph,
Could you please tell about the parameters required for tight-binding model
for graphene case? I use DFT already and have the optimization and Hessian
calculations with me.. How and what do I extract from these outputs, to be
able to start using Kwant?
Please help me in getting started.
Regards,
On Thu, Mar 17, 2016 at 7:11 PM, Joseph Weston
Hi,
Kwant is a package for simulating tight-binding models, with a focus on quantum transport. If you can construct a tight-binding model for your system, you can simulate it with Kwant. Obtaining a tight-binding model (e.g. using DFT to calculate tight-binding parameters) is outside the scope of Kwant.
Hope that clarifies,
Joe
-- *Dr. Siddheshwar chopra,* *M.Sc., Ph.D (Physics)Assistant Professor (Physics),* *Amity University, Noida, India.*
siddheshwar chopra wrote:
Could you please tell about the parameters required for tight-binding model for graphene case? (...)
As Joseph said your question is not at all related to Kwant and therefore off-topic for this mailing list. Please consult a general physics forum, or the literature, or an expert. Regards, Christoph
participants (4)
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Christoph Groth -
Joseph Weston -
Mohammed Ghadiyali -
siddheshwar chopra