It is currently Mon Oct 16, 2017 11:50 pm

Tell a friend!


Post new topic Reply to topic  [ 2 posts ] 
Polar Optical Phonon Calculation 
Author Message

Joined: Tue Sep 19, 2017 12:31 am
Posts: 1
University: Uni. at Buffalo
Post Polar Optical Phonon Calculation
Dear all,
Is there a way to obtain just the POP matrix elements from the code?
In the system that I am studying, the polar optical phonon scattering is the major contributor that inhibits electron mobility. So I just want to analyse the POP modes.

Thank You,
Ankit Sharma


Tue Sep 19, 2017 12:39 am
Profile E-mail
User avatar

Joined: Thu Jan 14, 2016 10:52 am
Posts: 101
University: University of Oxford
Post Re: Polar Optical Phonon Calculation
Dear Ankit,

If you set longrange=.true. you will only include in your calculation the generalized Frohlich matrix element from https://journals.aps.org/prl/abstract/1 ... 115.176401
(bear in mind that this will only calculate the long range matrix element using the analytical formula for gL instead of doing the full interpolation of the matrix elements)

Carla

_________________
Carla Verdi
Department of Materials | University of Oxford
Parks Road | OX1 3PH Oxford


Tue Sep 19, 2017 8:31 am
Profile E-mail
Display posts from previous:  Sort by  
Post new topic Reply to topic  [ 2 posts ] 


Who is online

Users browsing this forum: No registered users and 1 guest


You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum

Search for:
Jump to:  
cron
Powered by phpBB © phpBB Group.
Designed by Vjacheslav Trushkin

(All content on this board is governed by and is the sole responsibility of the board administrator.)


Gratis forum Free forum hosting| gratis phpbb3 forum | phpbb3 styles