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First-principles dynamics of electrons and phonons

Bernardi, Marco (2016) First-principles dynamics of electrons and phonons. European Physical Journal B, 89 . Art. No. 239. ISSN 1434-6028. doi:10.1140/epjb/e2016-70399-4.

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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.

Item Type:Article
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Bernardi, Marco0000-0001-7289-9666
Additional Information:© 2016 EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg. Received 27 June 2016; Received in final form 3 September 2016; Published online 2 November 2016. The author thanks Jamal Mustafa, Luis Agapito, and Jin-Jian Zhou for fruitful discussions, and Davide Sangalli, Vatsal Jhalani, Nien-En Lee, Bolin Liao, and Celene Barrera for feedback on the manuscript. This work was supported by a start-up fund from the California Institute of Technology.
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Classification Code:PACS: 72.10.-d Theory of electronic transport; scattering mechanisms; 78.47.-p Spectroscopy of solid state dynamics; 63.20.K- Phonon interactions
Record Number:CaltechAUTHORS:20161025-114155978
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Official Citation:Bernardi, M. Eur. Phys. J. B (2016) 89: 239. doi:10.1140/epjb/e2016-70399-4
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:71449
Deposited By: Ruth Sustaita
Deposited On:25 Oct 2016 19:03
Last Modified:11 Nov 2021 04:45

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