The European Physical Journal B

, 89:239

First-principles dynamics of electrons and phonons*

Colloquium

DOI: 10.1140/epjb/e2016-70399-4

Cite this article as:
Bernardi, M. Eur. Phys. J. B (2016) 89: 239. doi:10.1140/epjb/e2016-70399-4
Part of the following topical collections:
  1. Topical issue: Ψk Volker Heine Young Investigator Award – 2015 Finalists

Abstract

First-principles calculations combining density functional theory and many-body perturbation theory can provide microscopic insight into the dynamics of electrons and phonons in materials. We review this theoretical and computational framework, focusing on perturbative treatments of scattering, dynamics, and transport of electrons and phonons. Application of these first-principles calculations in electronics, lighting, spectroscopy, and renewable energy are discussed.

Copyright information

© EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2016

Authors and Affiliations

  1. 1.Department of Applied Physics and Materials ScienceSteele Laboratory, California Institute of TechnologyPasadenaUSA