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Re: [abinit-forum] electron phonon analysis of a semiconductor


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  • From: Matthieu Verstraete <mjv500@york.ac.uk>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] electron phonon analysis of a semiconductor
  • Date: Thu, 28 Jun 2007 16:21:29 +0100 (BST)


Hello Alaska,

This is something I've been thinking of as well; basically, for the electron-phonon coupling which is coded, you need a metal: low energy excitations like phonons can only couple states filled and empty states "infinitesimally" close in energy, ie at the Fermi surface (FS). For a semiconductor, no states are available, the DOS at Ef is 0, and you should get 0 everywhere.

This is not to say the electrons and phonons don't interact, but all the normal properties (a2F, phonon linewidths...) are defined as integrals over the FS.

The fact that the dielectric matrix is found to be 0 is strange, you are probably missing some perturbations or something. Your output will be necessary to see this (Netiquette!)

For natifc, no idea: why would you want to set it to 0?

Matthieu

--
================================================================
Dr. Matthieu Verstraete mailto:mjv500@york.ac.uk
Dept. of Physics, University of York, tel: +44 1904 43 22 08
Heslington, YO10 5DD York, United Kingdom fax: +44 1904 43 22 14



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