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electron-phonon coupling for 2D materials 
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Joined: Mon Dec 17, 2018 12:43 pm
Posts: 1
University: Faculty of sc 'rbt'
Post electron-phonon coupling for 2D materials
Hello everybody :)
i work on superconducting properties of an material 2D i run epw in order to have the electron phonon coupling and i found a huge lambda
lambda = 7456 meV

Best regards


Tue Dec 25, 2018 6:20 pm
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Joined: Fri Jan 22, 2016 6:48 pm
Posts: 84
University: SUNY-Binghamton
Post Re: electron-phonon coupling for 2D materials
Hi,

You can try to run the calculations for different k and q meshes and see if the problems persists.

Best,
Roxana

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Roxana Margine
Assistant Professor
Department of Physics, Applied Physics and Astronomy
Binghamton University, State University of New York
PO Box 6000
Binghamton, NY 13902-6000


Tue Jan 01, 2019 4:28 pm
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Joined: Tue Mar 21, 2017 7:11 pm
Posts: 3
University: BinghamtonUniversity
Post Re: electron-phonon coupling for 2D materials
Hi,

I have done some tests for a 2D material to calculate lambda using EPW v5.0 (QE-6.3). I also got unreasonable large value of lambda if I use "assume_isolated = '2D'" flag in QE-calculations. However, I got reasonable value of lambda without this flag. This time I can only guess for you that the source of the problem may be similar to mine. Although, the phonon are not different in both cases, basically EPW gives unreasonable large value of lambda.

If you are getting this data without using "assume_isolated = '2D'" flag, please let us know your inputs so that we can see in details.

Best,
Hari Paudyal


Sun Jan 13, 2019 6:25 pm
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