Electron-phonon physics from first principles
Electron-phonon interactions (EPIs) are ubiquitous in condensed matter and materials physics. For example EPIs play a central role in the electrical resistivity of metals, the carrier mobility of semiconductors, the pairing mechanism of conventional superconductors, and the optical properties of indirect-gap materials. More fundamentally, the EPI is the simplest realization of the interaction between fermion and boson fields, arguably one of the pillars of many-particle physics and quantum electrodynamics. The EPI has been studied for almost a century, however only during the last two decades predictive, non-empirical calculations have become possible. In this talk I will outline the theoretical and computational framework underlying modern electron-phonon calculations from first principles, and illustrate recent progress in this area by discussing representative work from our group. In particular I will touch upon our recent investigations of polarons in the angle-resolved photoelectron spectra of transition metal oxides [1,2], the superconducting pairing mechanism in transition metal dichalcogenides , non-adiabatic Kohn anomalies in the inelastic X-ray scattering spectra of doped semiconductors , and the phonon-induced renormalization of carrier effective masses in halide perovskites . I will conclude by discussing opportunities for future work, and the key challenges for advancing theoretical and computational research on electron-phonon physics .
 C. Verdi et al., Nat. Commun. 8, 15769 (2017).
 J. M. Riley et al., Nat. Commun. 9, 2305 (2018).
 C. Heil et al., Phys. Rev. Lett., 119, 087003 (2017).
 F. Caruso et al., Phys. Rev. Lett. 119, 017001 (2017).
 M. Schlipdf et al., Phys. Rev. Lett. 121, 086402 (2018).
About the speaker
Feliciano Giustino is Full Professor of Materials at the University of Oxford, and during AY 2017/18 he was the Mary Shepard B. Upson Visiting Professor in Engineering at Cornell University. He holds an MSc in Nuclear Engineering from Politecnico di Torino and a PhD in Physics from the Ecole Polytechnique Fédérale de Lausanne. Before joining the Department of Materials at Oxford he was a postdoc in the Physics Department of the University of California at Berkeley. He specialises in electronic structure theory and the atomic-scale design of advanced materials for electronics, photonics, and energy. He is author of 120+ research papers and one book on Materials Modelling using Density Functional Theory. He started the open-source software project EPW, which is currently distributed as a core module of the Quantum ESPRESSO materials simulation suite.
17th NCCR MARVEL "Distinguished Lecture"