QuantumATK Forum
QuantumATK => General Questions and Answers => Topic started by: Mr sun on August 2, 2017, 13:03
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Hi,
1. How to obtain the interaction energy (300 meV) of the electron-phonon coupling of graphene from PHYSICAL REVIEW B 93, 035414 (2016)?
2. From the PHYSICAL REVIEW B 93, 035414 (2016), how to obtain the Fermi velocities (0.9 *10 ^ 6 m / s) and the sound velocities of the graphene (sound velocities of 20.4 (12.6) * 10 ^ 3 m / s for The LA (TA) mode of graphene), can there be some specific clear script to share?Or whether there are other specific processes that make my answer to the question clearer?thank you very much.
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Hi,
1) The value of 300 meV mentioned in PRB 93, 035414 (2016) is not a calculated interaction energy. Rather it is a shift of the Fermi energy that we specify in order to simulate doped graphene.
2) The Fermi velocity can be easily calculated with calculateVelocity method (http://docs.quantumwise.com/manuals/Types/calculateVelocity/calculateVelocity.html). The phonon velocities you need to calculate 'by hand' using the formula v = 1/hbar * d E(q) / dq, where E(q) is the energy of a particular phonon branch, and q is the norm of the phonon wave vector in Cartesian coordinates.
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Dear Troels Markussen,
Thank you for your guidance, I have a problem. According to PHYSICAL REVIEW B 93, 035414 (2016), can we share the scattering and inverse life-time of Fig. 7b and the computational script of Fig. 7c and d?thank you very much.
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We would certainly like to help you in reproducing that paper, but truth is we don not have the scripts you ask for in this and other Forum post. I suggest you contact the correpsonding author on the paper, Tue Gunst ([email protected])
Regards, Jess Wellendorff