Inhalt
| Kommentar |
This exercise is associated to the lecture "Theory and modelig of electron-phonon interactions", course 199925.
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| Literatur |
- Cesare Franchini, Michele Reticcioli, Martin Setvin, and Ulrike Diebold. Polarons in materials. Nature Reviews Materials 6, 560–586 (2021). link to publication
- F. Giustino. Electron-phonon interactions from first principles. Rev. Mod. Phys. 89, 015003 (2017). link to publication
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| Bemerkung |
Polarons, or charge carriers coupled to crystal lattice deformations, are a very common phenomenon in crystalline materials.
They can determine electrical conductivity and are even capable of inducing metal-semiconductor transitions.
This lecture will give an overview of the historical theoretical treatment of polarons and then focus on more recent ab initio modeling of polarons, but before that we will shortly look into basic electronic structure theory and standard electronic structure calculation methods that are widely used for ab initio materials modelling.
In this way you will become familiar, if you are not yet, with standard theories fundamental to solid-state theory, and a specific electron-phonon coupling phenomenon, the polaron. Also, you will learn how to do ab initio calculations yourselves.
Instruction methods:
- blackboard lecture
- pen-and-paper exercises
- computational exercises
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| Voraussetzungen |
Required:
- basic knowledge of quantum mechanics
- concept of electronic band structure
- concept of phonons
Not required:
- programming skills. Software will be provided.
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| Leistungsnachweis |
Exam admission: you must
- regularly attend the course,
- successfully participate in the exercises,
- pass a short written test, and
- complete and present a small project.
Exam: written or oral exam. |
| Lerninhalte |
- Landau-Pekar, Fröhlich, and Holstein theory of polarons
- BCS theory of superconductivity
- ab initio modeling of polarons with density functional theory: supercell calculations and ab initio polaron equations |
| Zielgruppe |
Students interested in solid state physics, condensed-matter theory, ab initio materials modeling who already know basics of solid state physics. |
