receptivity as a function of temperature in fcc Aluminum
Posted: Thu Oct 19, 2023 9:31 pm
Dear colleagues,
1) Did anybody calculate resistivity in fcc Al?
The results I obtain at room temperature overestimate experimental value by factor of ~2.
The convergence was achieved at mesh nk=100^3 nk=20^3 degaussq=0.15 meV and degaussw=50meV (checked 10, 20, 50 and nq=40^3).
The second question: I'm trying to compare with result published in [1] https://doi.org/10.1103/PhysRevB.54.16487. Author in this publication used lowest-order variational approximation to calculate resistivity which contains lambda_{tr}, electronic DOS and <v_x^2>.
EPW result in ref [1]
lambda_{tr} 0.379 0.37
N(E_F) (St/Ry) 5.64. 5.49
The agreement with experiment in [1] is perfect, while mine is almost twice higher
2) Question: is it possible to extract <v_x^2> from EPW calculation to make direct comparison?
Thank you,
German
1) Did anybody calculate resistivity in fcc Al?
The results I obtain at room temperature overestimate experimental value by factor of ~2.
The convergence was achieved at mesh nk=100^3 nk=20^3 degaussq=0.15 meV and degaussw=50meV (checked 10, 20, 50 and nq=40^3).
The second question: I'm trying to compare with result published in [1] https://doi.org/10.1103/PhysRevB.54.16487. Author in this publication used lowest-order variational approximation to calculate resistivity which contains lambda_{tr}, electronic DOS and <v_x^2>.
EPW result in ref [1]
lambda_{tr} 0.379 0.37
N(E_F) (St/Ry) 5.64. 5.49
The agreement with experiment in [1] is perfect, while mine is almost twice higher
2) Question: is it possible to extract <v_x^2> from EPW calculation to make direct comparison?
Thank you,
German