NCKU

First Principles Calculation of Semiconductor and Opto-electronic Materials :
Fundamentals and Applications

 

This is an Englished taught distance learning course.

(If you need to contact professor, please send your e-mail to mhslee@mail.tku.edu.tw, no restriction of language used.)

 

After join the course LINE Group, please change your nickname into [department]-[year]-[name]

 

 

Weekly Progress

Fundamentals

Lecture 00 Software Installation and Settings

 

 

Lecture 01 MS-CASTEP Quick Start

 

 

Lecture 02 Model building n 3D functions

 

 

Lecture 03 Concpts and Methods of DFT part-1

 

Lecture 03 Concpts and Methods of DFT part-2

 

Lecture 04 Atoms and Molecules

 

 

Lecture 05 Electronic Band Structure of Crystals

 

 

Lecture 06 Advanced BS Concepts

 

 

Lectures 07 Magnetism

 

Lectures 07U Magnetism : Hubbard U

 

 

 

Applications

Lecture 08 (Linear) Optical Properties due to Electronic Transition and Core-level Spectroscopy

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Lecture 09 Polarizability, IR, Raman

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Lecture 10 Phonon

 

Lecture 11 Surfaces

 

Lecture 12 Hetrojunction

 

Lecture 13 Alloys and Defects

 

Lecture 14 Chemical Recation (TS), Finite Temperature (MD), Electrnic Excitation (TD-DFT)

 

 

Course video list

Course video QR-code

 

Software instaltion and setting

Installer download