Course Code : | 2001WETESC |

Study domain: | Physics |

Academic year: | 2019-2020 |

Semester: | 1st semester |

Contact hours: | 30 |

Credits: | 3 |

Study load (hours): | 84 |

Contract restrictions: | No contract restriction |

Language of instruction: | English |

Exam period: | exam in the 1st semester |

Lecturer(s) | Bart Partoens |

At the start of this course the student should have acquired the following competences:

an active knowledge of

an active knowledge of

- English

Good basic knowledge of quantum mechanics, statistical physics and solid state physics.

- To understand the most important computational techniques that are used to calculate the electronic structure of molecules and crystals.
- To be able to calculate the lattice constants and band structure of a material using a DFT code (ABINIT).

The following methods are discussed to calculate the electronic structure of molecules and crystals:

• Hartree and Hartree-Fock

• Density functional theory

• Tight-binding method

Recent papers are discussed which illustrate these methods.

Computer sessions are organized to calculate the lattice constant and band structure of some crystals using density functional theory. Here we will make use of the ABINIT code.

Also the multiband effective mass (i.e. k*p theory) will be introduced and applied on low-dimensional semiconductor systems.

The course has an international dimension.

Class contact teachingLectures Practice sessions Laboratory sessions

ProjectIn group

Project

ExaminationWritten with oral presentation Open book Open-question

Continuous assessmentAssignments

Written assignmentWith oral presentation

Continuous assessment

Written assignment

Slides, notes of the student

1. Methods of Electronic Structure Calculations, M. Springborg, Wiley, 2000.

2. Electronic Structure, R. M. Martin, Cambridge University Press, 2004.

3. Atomic and electronic structure of solids, E. Kaxiras, Cambridge University Press, 2003.

4. Physics of optoelectronic devices, S. L. Chuang, Wiley, 1995.

5. Electronic structure calculations for solids and molecules: Theory and computational methods, J. Kohanoff, Cambridge University Press, 2006.

6. Density functional theory: a practical introduction, D. Sholl and J. A. Steckel, Wiley, 2009.

bart.partoens@uantwerpen.be

U316, campus Groenenborger

jonas.bekaert@uantwerpen.be