A question about the Electronic Dielectric Tensor

Phonons, DFPT, electron-phonon, electric-field response, mechanical response…

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Zhang Xiaole
Posts: 46
Joined: Thu Sep 15, 2011 7:13 am

A question about the Electronic Dielectric Tensor

Post by Zhang Xiaole » Wed May 16, 2012 8:21 am

Hello, Everyone.
When i finished the NLO calculation, i find the code caculated the electronic dielectric tensor. i known the dielectric tensor is a funcion with wavelength, so i wonder the dielectric tensor gived here related to which wavelength. Besides, i known the dielectric constant is the square of the refractive index, is these parameters that the code gived is somewhat related to the Sellmeier equations to determine the refractive index .
Thanks in advanced

Zhang Xiaole
Phd student
Phys Department
Shanghai JiaoTong university, Shanghai, China

mverstra
Posts: 655
Joined: Wed Aug 19, 2009 12:01 pm

Re: A question about the Electronic Dielectric Tensor

Post by mverstra » Wed May 23, 2012 6:18 pm

The DFPT coded in abinit is for a static electric field. The frequency dependence which does appear is for the phonon contribution to the dielectric constant.

You need to be more specific - are you using optic? anaddb?

I don't know about the Sellmeier equations... You can always calculate n and reflectivity from the dielectric constants.

Matthieu
Matthieu Verstraete
University of Liege, Belgium

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