Polarons are quasiparticles that easily form in polarizable materials due to the coupling of
excess electrons or holes with ionic vibrations. These quasiparticles manifest themselves in …

Polarons are formed in polar or ionic solids, either molecular or crystalline, due to local
distortions of the lattice induced by charge carriers. Polaron hopping is the primary …

EPW is an open-source software for ab initio calculations of electron–phonon interactions
and related materials properties. The code combines density functional perturbation theory …

The development of halide perovskite semiconductors led to various technological
breakthroughs in optoelectronics, in particular in the areas of photovoltaics and light-emitting …

MXenes are emerging layered materials that are promising for electrochemical energy
storage and (opto-) electronic applications. A fundamental understanding of charge …

Strategies to generate high-valence metal species capable of oxidizing water often employ
composition and coordination tuning of oxide-based catalysts, where strong covalent …

Polarons are quasiparticles that emerge from the interaction of fermionic particles with
bosonic fields. In crystalline solids, polarons form when electrons and holes become …

While polarons, charges bound to a lattice deformation induced by electron–phonon
coupling, are primary photoexcitations in bulk metal-halide hybrid organic–inorganic …

Ab initio calculations of the phonon-induced band structure renormalization are currently
based on the perturbative Allen-Heine theory and its many-body generalizations. These …

Excitons consist of electrons and holes held together by their attractive Coulomb interaction.
Although excitons are neutral excitations, spatial fluctuations in their charge density couple …