Dr. Feliciano Giustino, Oxford University

"Electron-phonon interactions from first principles"

Abstract: 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 semiconductors and insulators. 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 [3], and nonadiabatic Kohn anomalies in the inelastic X-ray scattering spectra of doped semiconductors [4]. I will conclude by discussing opportunities for future work, and the key challenges for advancing theoretical and computational research on electron-phonon physics [5].

[1] C. Verdi and F. Giustino, Phys. Rev. Lett. 115, 176401 (2015).
[2] C. Verdi, F. Caruso and F. Giustino, Nat. Commun. 8, 15769 (2017).
[3] C. Heil, S. Poncé, H. Lambert, M. Schlipf, E. R. Margine, and F. Giustino, Phys. Rev. Lett., 119, 087003 (2017).
[4] F. Caruso, M. Hoesch, P. Achatz, J. Serrano, M. Krisch, E. Bustarret, and F. Giustino, Phys. Rev. Lett. 119, 017001 (2017).
[5] F. Giustino, Rev. Mod. Phys. 89, 015003 (2017).