05/05/2023
New DFTB-based approach for computing electron–phonon couplings and relaxation times in Journal of Computational Electronics by ULTIMATE ITN partners from Chair Materials Science and Nanotechnology at TU Dresden TU Dresden led by Marie Skłodowska-Curie Actions Fellow Elif Ünsal! ⚗️🖥️⚡️🤩
The calculation of the electron–phonon coupling from first principles is computationally very challenging and remains mostly out of reach for systems with a large number of atoms. Semi-empirical methods, like density functional tight binding (DFTB), provide a framework for obtaining quantitative r...
