First-principles dynamics of electrons and phonons
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, dyna...
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| Veröffentlicht in: | The European physical journal. B, Condensed matter physics Condensed matter physics, 2016-11, Vol.89 (11), p.1-15, Article 239 |
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| container_title | The European physical journal. B, Condensed matter physics |
| container_volume | 89 |
| creator | Bernardi, Marco |
| description | 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. |
| doi_str_mv | 10.1140/epjb/e2016-70399-4 |
| format | Article |
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| ispartof | The European physical journal. B, Condensed matter physics, 2016-11, Vol.89 (11), p.1-15, Article 239 |
| issn | 1434-6028 1434-6036 |
| language | eng |
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| source | SpringerLink Journals - AutoHoldings |
| subjects | Analysis Colloquium Complex Systems Condensed Matter Physics Density functional theory Electrons First principles Fluid- and Aerodynamics Perturbation theory Phonons Physics Physics and Astronomy Solid State Physics Topical issue: Ψk Volker Heine Young Investigator Award – 2015 Finalists |
| title | First-principles dynamics of electrons and phonons |
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