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Density functional theory in solid state physics (DFT-FP)- Lecturer
- Dr. Roland Gillen
- Details
- Vorlesung mit Übung
Präsenz
3 cred.h, benoteter certificate, ECTS studies, ECTS credits: 5, Sprache Englisch
Time and place: Mon 16:00 - 18:00, SR 00.103
- Fields of study
- WF Ph-MA 1 (ECTS-Credits: 5)
- Prerequisites / Organisational information
- The lecture gives an introduction to density functional theory and related methods and to applications in solid state physics. This will be complemented by hands-on tutorials using the Quantum Espresso DFT code. A background in solid state physics will be useful.
Exercises/tutorials will be located at the StudOn course page: https://www.studon.fau.de/crs4061725.html .
- Contents
- Problem with quantum-mechanical approaches for condensed matter systems
Introduction of Density Functional Theory Kohn-Sham ansatz and alternatives Exchange-correlation approximations Practical considerations for DFT: parameters, basis sets, pseudopotentials Application of DFT to the properties of 1D, 2D and 3D crystalline materials: electronic structure, phonons, magnetism, transport properties etc. Time-dependent DFT
- Recommended literature
- -Electronic structure: Basic Theory and Practical Methods, by Richard Martin
-Density Functional Theory: A Practical Introduction, by David Sholl
-The ABC of DFT, by Kieron Burke
-A Primer in Density Functional Theory, edited by C. Fiolhais
- ECTS information:
- Credits: 5
- Additional information
- Expected participants: 10
- Verwendung in folgenden UnivIS-Modulen
- Startsemester WS 2021/2022:
- Density functional theory in solid state physics (DFT-FP)
- Department: Chair of Experimental Physics
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