[Pw_forum] Physics of Anderson Localization

[W2AGZ]

Regarding Nicola's suggestion to map onto a tight binding Hamiltonian as a
starting point relevant parameters derived from a QE calculation and then
randomize for a subsequent quantum Monte Carlo estimate of Anderson
localization, have a look at the this paper
http://w2agz.com/Publications/Science%20&%20Technology/IBM/46%20(1983)%20Bro
ken-Symmetry%20Band%20Structure%20of%20Ditetraethyltetraselenafulvalene-X%20
%5b(TMTSF)_2X%5d.pdf .

Regards,
Paul Grant
W2AGZ Technologies
www.w2agz.com

-----Original Message-----
From: pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] On
Behalf Of Nicola Marzari
Sent: Tuesday, December 13, 2016 9:45 AM
To: PWSCF Forum
Subject: Re: [Pw_forum] Physics of Anderson Localization

On 13/12/2016 18:39, Sitangshu Bhattacharya wrote:
> Dear QE people,
>
> Is there a way to study Anderson localization in say, 2D systems, using
QE?
> I want to see how the resistance behaves under dominant Anderson 
> localization.
>
> Regards,


I guess you could map the problem into a tight-binding hamiltonian, decide
how disorder influences that, and diagonalize?

				nicola

--
----------------------------------------------------------------------
Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
Director, National Centre for Competence in Research NCCR MARVEL, EPFL
http://theossrv1.epfl.ch/Main/Contact http://nccr-marvel.ch/en/project
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