[DFTB-Plus-User] Transport calculation with gate field.

[Benjamin Hourahine]

Hello Anshu,

there are some special cases for 2D materials, that for symmetry reasons there would not have an effect from a surface normal electric field with the DFTB hamiltonian.

What type of geometry are you considering?

Regards

Ben

       Dr. B. Hourahine, SUPA, Department of Physics,
     University of Strathclyde, John Anderson Building,
             107 Rottenrow, Glasgow G4 0NG, UK.
     +44 141 548 2325, benjamin.hourahine at strath.ac.uk

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________________________________
From: DFTB-Plus-User <dftb-plus-user-bounces at mailman.zfn.uni-bremen.de> on behalf of Anshu Gaur <agaur at iitk.ac.in>
Sent: 20 June 2022 13:12
To: dftb-plus-user at mailman.zfn.uni-bremen.de <dftb-plus-user at mailman.zfn.uni-bremen.de>
Subject: [DFTB-Plus-User] Transport calculation with gate field.

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Dear all,

I am doing some transport calculations with applied (planar) gate
potential. Separately I have done some calculations with applied
electric field (external, saw-tooth potential) to see the changes in the
band structure of the scattering region.

I would like to know, if transverse electric field related changes in
band structure of scattering region would reflect in transport
calculations with applied gate potential?


Thanks and regards,

Anshu Gaur

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