First-principles dynamics of electrons and phonons*

@article{Bernardi2016FirstprinciplesDO,
  title={First-principles dynamics of electrons and phonons*},
  author={Marco Bernardi},
  journal={The European Physical Journal B},
  year={2016},
  volume={89},
  pages={1-15}
}
  • M. Bernardi
  • Published 30 June 2016
  • Materials Science, Physics
  • The European Physical Journal B
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.  

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