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.
CITATION STYLE
Bernardi, M. (2016, November 1). First-principles dynamics of electrons and phonons*. European Physical Journal B. Springer Heidelberg. https://doi.org/10.1140/epjb/e2016-70399-4
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