Anharmonic electron-phonon coupling in ultrasoft and locally disordered perovskites

Abstract Anharmonicity and local disorder (polymorphism) are ubiquitous in perovskite physics, inducing various phenomena observed in scattering and spectroscopy experiments. Several of these phenomena still lack interpretation from first principles since, hitherto, no approach is available to accou...

Full description

Bibliographic Details
Main Authors: Marios Zacharias, George Volonakis, Feliciano Giustino, Jacky Even
Format: Article
Language:English
Published: Nature Portfolio 2023-08-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-023-01089-2