First-principles electron-phonon interactions with self-consistent Hubbard interaction: Application to transparent conducting oxides

There is growing interest in first-principles approaches that unify electronic structure, lattice dynamics, and electron-phonon coupling beyond the reach of standard density functional theory. Here, the authors present a framework that combines density functional perturbation theory with self-consistent Hubbard interactions. Using transparent conducting oxides as an example, they show that this approach accurately describes electron-phonon interactions and related transport and optical properties, achieving excellent agreement with experiments, while remaining computationally efficient for precise and realistic predictions across a broad range of materials.