NCKU

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

 

Impoertant reminder :

This is an English taught distance learning course. given in "flexible intensive" style. please see the pdf regarding its special withdarw rules.

 

(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]

 

114-1 Hints of all Exam questions

114-1 Applications Final Exam

114-1 Fundamentals Final Exam

114-1 Applications : Mid-term Exam

114-1 Fundamentals : Mid-terrm Exam

 

 

(Official) Weekly Progress

 

First-Principles Calculation of Semiconductor and Optoeletronic Materials : Fundamentals

 

First-Principles Calculation of Semiconductor and Optoeletronic Materials : Applications

 

 

 

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

 

Lecture 10 Phonon

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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