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An efficient approach to electron-phonon coupling calculations of heterostructures within an all-electron framework

Oliva, Ignacio Gonzalez et al.
arXiv (All) · Papers
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materials-science
A major challenge in calculating electron-phonon coupling at interfaces from first principles is the prohibitive computational cost due to the large supercells involved. Here, we present an efficient approach, which builds the electron-phonon matrix of weakly bound heterostructures from the properti
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