Generalized deformation potential and machine-learning approaches for electron-phonon coupling and thermoelectric transport in semiconductors (opens in new tab)

The ability to compute electron-phonon coupling from first principles, using density functional perturbation theory and interpolation techniques, has enabled predictive calculations of electronic transport coefficients in crystalline materials. However, these methods are still computationally expensive. Here we present two inexpensive methods to obtain thermoelectric transport properties of semiconductors using a small number of electron-phonon ...