[Pw_forum] Electron phonon coupling coefficient calculations

[Seungha Shin]

Dear all, 

>From the 'user guide' and some previous posts in forum, I see that the
calculation of the e-p interaction coefficient in QE is available in metals
only. 

But I also found some papers which used QE package to calculate GaAs, Si,
Ge, Graphene, etc, which are semiconductor or semimetal. 

[PRL, 99, 236405, 2007 - GaAs, GaP,
http://prl.aps.org/abstract/PRL/v99/i23/e236405 

 Phys. of the Solid State, 51 1110 (2009) - Si,
http://www.springerlink.com/content/c0g804860348r072/ 

PRB, 81, 121412(R) (2010), - Graphene,
http://prb.aps.org/abstract/PRB/v81/i12/e121412 

PRB, 84, 035201 (2011) - Ge, http://prb.aps.org/abstract/PRB/v84/i3/e035201
]

To do this calculation (e-p deformation potential for semiconductors), do we
have to go inside the code? 

Or can we calculate those materials (GaAs or Graphene) with the current
version of QE?  

Also, can we expect any possibility for higher order coupling (the second or
higher order coupling, to see multi-phonon absorption or emission)?

Any comment or suggestion would be appreciated. Many Thanks in advance. 

 

Seungha Shin

Heat Transfer Physics Laboratory, Mechanical Engineering

University of Michigan at Ann Arbor

 

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