Universität Wien

260028 VO Electronic Structure of Materials (2017S)

2.50 ECTS (2.00 SWS), SPL 26 - Physik
Moodle

Details

Sprache: Englisch

Prüfungstermine

Lehrende

Termine (iCal) - nächster Termin ist mit N markiert

  • Donnerstag 02.03. 15:30 - 16:30 Seminarraum Physik Sensengasse 8 EG (Vorbesprechung)
  • Donnerstag 09.03. 15:30 - 17:00 Seminarraum Physik Sensengasse 8 EG
  • Donnerstag 16.03. 15:30 - 17:00 Seminarraum Physik Sensengasse 8 EG
  • Donnerstag 23.03. 15:30 - 17:00 Seminarraum Physik Sensengasse 8 EG
  • Donnerstag 30.03. 15:30 - 17:00 Seminarraum Physik Sensengasse 8 EG
  • Donnerstag 06.04. 15:30 - 17:00 Seminarraum Physik Sensengasse 8 EG
  • Donnerstag 27.04. 15:30 - 17:00 Seminarraum Physik Sensengasse 8 EG
  • Donnerstag 04.05. 15:30 - 17:00 Seminarraum Physik Sensengasse 8 EG
  • Donnerstag 11.05. 15:30 - 17:00 Seminarraum Physik Sensengasse 8 EG
  • Donnerstag 18.05. 15:30 - 17:00 Seminarraum Physik Sensengasse 8 EG
  • Donnerstag 01.06. 15:30 - 17:00 Seminarraum Physik Sensengasse 8 EG
  • Donnerstag 08.06. 15:30 - 17:00 Seminarraum Physik Sensengasse 8 EG
  • Donnerstag 22.06. 15:30 - 17:00 Seminarraum Physik Sensengasse 8 EG
  • Donnerstag 29.06. 15:30 - 17:00 Seminarraum Physik Sensengasse 8 EG

Information

Ziele, Inhalte und Methode der Lehrveranstaltung

Computational quantum-mechanical modeling of materials. The lecture will give students the theoretical background and the practical experience to model, understand, and predict the properties of materials.

This course focuses on the atomistic modeling of material properties through
the numerical solution of the many-electron Schrödinger equation and
provides an overview of electronic structure theory as applied to materials.
Specific topics include: Variational method and the many body problem;
Atoms; Wave function methods (Hartree-Fock and beyond); Density-functional theory; Band structure of crystal (Tight-binding method, full potential methods,
pseudopotentials); magnetism (Heisenberg Hamiltonian); selected examples of
properties of materials predicted from electronic structure schemes.
The applicability of the various computational tools to diverse problems will
be discussed (also through computational experiments involving the implementation and execution of model programs). This course requires some basic knowledge of
quantum mechanics and solid states physics.

This course requires some basic knowledge of quantum mechanics and solid states physics.

Art der Leistungskontrolle und erlaubte Hilfsmittel

Oral examination, possibly accompanied by a personal project consisting in the numerical or theoretical solution of a problem.

Mindestanforderungen und Beurteilungsmaßstab

Prüfungsstoff

Topics discussed during the lessons and summarized in the script and in the slides.

Literatur

Computational Physics, J.M. Thijssen (Cambridge University Press, 2007)
Electronic Structure: Basic Theory and Practical Methods, R. Martin (Cambridge University Press, 2004
Fundamentals of Condensed Matter Physics Marvin L. Cohen University of California, 2016
Atomic and Electronic Structure of Solids, E. Kaxiras, Cambridge 2003.

Zuordnung im Vorlesungsverzeichnis

MF 1, MF 9, MaG 7, MaG 8, MaG 23, MaG 24, MaV 1, MaV 6

Letzte Änderung: Mo 07.09.2020 15:40