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- Title
First-principles dynamics of electrons and phonons*.
- Authors
Bernardi, Marco
- 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.
- Subjects
ELECTRONS; PHONONS; DENSITY functional theory; MANY-body perturbation calculations; SCATTERING (Physics)
- Publication
European Physical Journal B: Condensed Matter, 2016, Vol 89, Issue 11, p1
- ISSN
1434-6028
- Publication type
Article
- DOI
10.1140/epjb/e2016-70399-4