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Re: [abinit-forum] complex band structure calculations


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  • From: Pablo Aguado <paguado@gmail.com>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] complex band structure calculations
  • Date: Thu, 18 Jun 2009 17:52:50 +0200
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Hello Timothy,

Under periodic boundary conditions, only the real values of the Bloch
k vectors have a physical meaning, since an imaginary k represent a
state that decays exponentially in some direction. However, this is
precisely the kind of behavior one expect, for example, in a surface
state. Thus, the analysis of the complex band structure of a material
gives us information about evanescent states in surfaces, interfaces,
... This kind of analysis is very well explained in the paper
Mavropoulos et al. PRL 85, 5 (2000)

Regards,

Pablo


On Thu, Jun 18, 2009 at 4:41 PM, Timothy
Mason<millionsofbillions@gmail.com> wrote:
> Now I'm curious. would one of you mind explaining a complex k vector?
> applications?
>

--
-----------------------------------------------------------
Pablo Aguado Puente
paguado@gmail.com
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