Advanced Solid State Electronics

It is the objective of the theory for nano-electronic devices to understand the fundamental principles that determine the atomic arrangement and the electronic structure of the nano-devices and the processes occurring in the nano-devices. The recent microscopic theoretical treatment allows to describe various properties of the nano-devices from first principles. In this class, students study the concept of the first principles calculations, the approximation methods which are commonly used and their limitation, and the practical implementation of a density functional code.

Students can

1. explain the basic concept and outline of the first principles calculations,
2. execute the calculation for a small molecule for example a carbon monoxide, and
3. perform the critical reading of the manuscripts concerned about the first principles calculations.

Contribution for reading the text (40 percent of the grade) and Practice reports (60 percent of the grade) for objectives of this course.

1. Reading text about Basic concept of the first principles calculation
2. Reading text about Hartree-Fock theory
3. Reading text about Quantum chemistry method
4. Reading text about Density functional theory
5. Reading text about Pseudopotentials
6. Reading text about Implementations of density functional theory
7. Reading text about Further many-electron method
8. Reading text about Tight-binding model
9. Reading manuscript about and carrying out basic practice on Atomic-scale simulation environment
10. Carrying out Practical work for total energy calculation
11. Carrying out Practical work for Hellmann-Feynman force
12. Carrying out Practical work for charge density and wave functions
13. Carrying out Practical work for density of state
14. Carrying out Practical work for electronic band dispersion
15. Carrying out Practical work for visualisation of calculation results