2023 Faculty Courses School of Materials and Chemical Technology Department of Chemical Science and Engineering Graduate major in Chemical Science and Engineering
Advanced electronic structures in solids II
- Academic unit or major
- Graduate major in Chemical Science and Engineering
- Instructor(s)
- Kohei Yoshimatsu
- Class Format
- Lecture (Face-to-face)
- Media-enhanced courses
- -
- Day of week/Period
(Classrooms) - 3-4 Wed (S4-202(S422))
- Class
- -
- Course Code
- CAP.A468
- Number of credits
- 100
- Course offered
- 2023
- Offered quarter
- 4Q
- Syllabus updated
- Jul 8, 2025
- Language
- English
Syllabus
Course overview and goals
A solid composed of Avogadro's number of atoms exhibits an electronic state that reflects the periodicity of its crystal lattice. In this lecture, students can understand the formation of bands by LCAO approximations and electronic structures of typical inorganic solids starting from the molecular orbital method, which is familiar to students in Chemistry field.
Course description and aims
Students can understand the periodicity of crystal lattices based on wave vectors and explain the dispersion relationship between wave vectors and energy. In addition, Students can explain electronic states of solids based on their crystal structures, constituent elements, and valence.
Keywords
Molecular orbital, band, Bloch's theorem, Free electron model, LCAO approximation, Transition-metal oxide, Electron correlation, Crystal-field splitting
Competencies
- Specialist skills
- Intercultural skills
- Communication skills
- Critical thinking skills
- Practical and/or problem-solving skills
Class flow
The class will be conducted in the form of a combination of slides distributed in advance and written materials on the board. The lectures will be given on the assumption that the students have thoroughly prepared for the lectures. A 15-minute quiz will be given at the end of each lecture.
Course schedule/Objectives
| Course schedule | Objectives | |
|---|---|---|
| Class 1 | Molecular orbitals and bands | Starting from the molecular orbital method, students can explain the basic concept of bands. |
| Class 2 | Bloch's theorem | Students can derive Bloch's theorem from a one-dimensional atomic chain. |
| Class 3 | Nearly free electron model | Students can explain the behavior of free electrons in a very weak periodic potential. |
| Class 4 | Electronic conduction | Students can give microscopic and macroscopic explanations on electronic conduction of simple metals. |
| Class 5 | Band structures based on linear combination of atomic orbitals method | Students can draw band structures of simple one- or two-dimensional lattices using the LCAO approximation. |
| Class 6 | Band structures in real solids | Students can explain band structures of typical solids. |
| Class 7 | Electronic structures in transition-metal oxides | Students can explain electronic structures of transition-metal oxides in terms of crystal-field splitting and electronic correlation. |
Study advice (preparation and review)
To enhance effective learning, students are encouraged to spend approximately 100 minutes preparing for class and another 100 minutes reviewing class content afterwards (including assignments) for each class.
They should do so by referring to textbooks and other course material.
Textbook(s)
P A Cox, "The Electronic Structure and Chemistry of Solids" Oxford Science Publications, ISBN-13: 978-0198552048
Reference books, course materials, etc.
藤森 淳 (著)、「強相関物質の基礎―原子、分子から固体へ」、内田老鶴圃、ISBN-13 : 978-4753656240
Charles Kittel (著), "Introduction to Solid State Physics", Wiley, ISBN-13: 978-1119454168
Evaluation methods and criteria
Quiz for each session (20 points) + final exam (80 points)
Related courses
- CAP.N306 ： Computational Materials Chemistry
- CAP.N304 ： Inorganic Solid Chemistry
- CAP.A461 ： Advanced Solid State Chemistry I
- CAP.A462 ： Advanced Solid State Chemistry II
Prerequisites
Nothing special
Contact information (e-mail and phone) Notice : Please replace from ”[at]” to ”@”(half-width character).
TEL: 03-5734-2127, E-mail: yoshimatsu.k.aa[at]m.titech.ac.jp
*I recommend contact by e-mail.
Office hours
Weekdays (Advance notice required)
Other
Due to new lectures being offered in 2023, the plans and contents may slightly differ. Advanced electronic structures in solids I is scheduled in 2024. This year's lectures will combine the important parts of I and II. Therefore, some of the contents will be different from 2024 onwards.