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1.
1 p, 320.5 KB Author Correction : The elphbolt ab initio solver for the coupled electron-phonon Boltzmann transport equations / Protik, Nakib H. (Institut Català de Nanociència i Nanotecnologia) ; Li, Chunchua (Boston College. Department of Physics) ; Pruneda, Miguel (Institut Català de Nanociència i Nanotecnologia) ; Broido, David (Boston College. Department of Physics) ; Ordejon, Pablo (Institut Català de Nanociència i Nanotecnologia)
The original version of this article contained typographical errors in Equation (6) and Equation (7).
2022 - 10.1038/s41524-022-00746-2
npj Computational Materials, Vol. 8 (March 2022) , art. 58  
Detailed record - Creative Commons
2.
9 p, 1.2 MB The elphbolt ab initio solver for the coupled electron-phonon Boltzmann transport equations / Protik, Nakib H. (Institut Català de Nanociència i Nanotecnologia) ; Li, Chunchua (Boston College. Department of Physics) ; Pruneda, Miguel (Institut Català de Nanociència i Nanotecnologia) ; Broido, David (Boston College. Department of Physics) ; Ordejon, Pablo (Institut Català de Nanociència i Nanotecnologia)
elphbolt is a modern Fortran (2018 standard) code for efficiently solving the coupled electron-phonon Boltzmann transport equations from first principles. Using results from density functional and density functional perturbation theory as inputs, it can calculate the effect of the non-equilibrium phonons on the electronic transport (phonon drag) and non-equilibrium electrons on the phononic transport (electron drag) in a fully self-consistent manner and obeying the constraints mandated by thermodynamics. [...]
2022 - 10.1038/s41524-022-00710-0
npj Computational Materials, Vol. 8 (2022) , art. 28  
Detailed record - Creative Commons

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