[Wien] How to approximate the <I^2> value from wien2K

pachineela rambabu rams.hcu at gmail.com
Tue Feb 27 11:54:17 CET 2018


Dear Wien2k, the electron-phonon coupling can be calculated by using the
formula

*Lambda=(Eta)/(m<w^2>)*, Here Eta is Hopefield parameter and can be written
as

*Eta= N(Ef)*<I^2>*, Here N(Ef) is total density of states and <I^2> is the
square of electron-phonon matrix element over fermi surface.

By using some approximations <w^2> can be written as 0.5*(Theta D^2),
here Theta D is Debye temperature. And m is average atomic mass
So the final formula will become as

*Lambda=(N(Ef)*<I^2>)/(m*0.5*Theta D^2).*

Here i am facing the problem how to approximate the <I^2> value from wien2K
band structure calculations.

Please suggest a solution.


-- 
*P. Rambabu*
PhD Scholor
Physics, IIT Hyderabad
Mobile: 9074508220.
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