Output file : linewidth.elself

Running EPW
1

Dear moderator,

I am trying to calculate the electron linewidth for Si. Part of the output file of linewidth.elself is shown below:

Electron lifetime (meV)

ik ibnd E(ibnd) Im(Sgima)(meV)

    1          1   -0.74249892970430E+01    0.14243828928565E+02
    1          2   -0.15549393933031E+01    0.17835852274564E+02
    1          3    0.28288370233154E+01    0.10970105629373E+02
    1          4    0.71874242703168E+01    0.10959314852620E+01
    2          1   -0.77195310860366E+01    0.12642910724996E+02
    2          2   -0.14815899602857E+01    0.15980679611261E+02
    2          3    0.20938202757165E+01    0.10580084757718E+02
    2          4    0.68125006113451E+01    0.12096225200087E+01
    3          1   -0.79356216530140E+01    0.13239883163266E+02
    3          2   -0.14208743069544E+01    0.16125135270170E+02
    3          3    0.12853500088248E+01    0.11984948268272E+02
    3          4    0.63532620489267E+01    0.17871866369172E+01
    4          1   -0.80763178333353E+01    0.18262670372369E+02
    4          2   -0.13746785868772E+01    0.17548685522939E+02
    4          3    0.44166788285887E+00    0.11059044570356E+02

Correct me if I am wrong, I believe Im(Sgima) is the electron linewidth. What about E(ibnd) ? What does E(ibnd) represents?

Thanks

Regards
Yeoh
UTAR Malaysia

2

Dear Yeon,

E(ibnd) is the band energy at band number ibnd and k-point ik with respect to the Fermi level. In other words is the eigenvalue E_nk - E_F.

Best,
Roxana

3

Dear Dr Roxana,

Thanks. Actually I am interested in calculating the carrier scattering rate. To my understanding, the scattering rate, for a specific band ibnd, is given as:
Scattering rate = 2/(hbar)*Im(Sgima), where hbar is the reduced Planck constant and Im(Sgima) is the imaginary part of the electron self-energy which is taken from the output file of linewidth.elself.
So, to obtain a typical plot of carrier scattering rate vs energy, is it correct we plotted 2/(hbar)*Im(Sgima) vs E(ibnd)?

Thanks

Best regards
Yeoh

4

Dear Yeon,

That’s correct.

Best,
Roxana

5

Dear Dr Roxana,

Thank you so much :)

Regards
Yeoh