Lecturers：Jun Okabayashi (1st part) and Prof. Tsukuda (2nd part)
(Department of Chemistry：Research Center for Spectrochemistry）
Schedule： First part: April 5, 19, 26, May 10 by Prof. Okabayashi Second part: May 17, 24, 31 by Prof. Tsukuda
Every Tuesday 10:25-12:10 (105 min.）
Place：Lecture room at 4th floor in the Chemistry main building
レポートには、コメントや質問などを是非とも記載してください！
Comments, questions, and discussions are welcome in the report !
This lecture aims to understand the electronic and magnetic structures of functional materials. The students can learn the principles of several kinds of spectroscopies and how interpret the spectra to deduce the physics and chemistry. Interesting properties of novel functional materials from the view points of physics and chemistry are also introduced and discussed.
Evaluation:
The students have to submit the reports for both Prof. Okabayashi (1st part) and Prof. Tsukuda (2nd part) in order to obtain a credit of this course (important !). As for the 1st part (4 weeks; Okabayashi), the students have to submit the report every week with answering for at least two questions. If you cannot attend to the class, the reports should be submitted in next week. Final deadline is the end of May. Comments, questions, and discussions are welcome !
Topics: Theory of electronic structures hand out document #1 (April 5)
・Molecular orbitals (MO) of H2+ molecules （分子軌道法）
・Valence bond (VB) (Heitler-London) method for H2 molecules （原子価結合法）
・Hartree-Fock approximation
・Local density approximation（LDA, 局所密度近似）
・Configuration interaction approach（CI, 配置間相互作用）
・Super-exchange interaction（超交換相互作用）
・Goodenough-Kanamori rule
・Double-exchange interaction （二重交換相互作用）
Topics: Experiments for studying electronic structures hand out document #2 (April 19)
・Term symbol for p2 and d2 electron systems （項）
・Multiplet (多重項）
・Ligand field theory （配位子場の理論）
・Tanabe-Sugano diagram （田辺菅野ダイアグラム）
・Synchrotron radiation （放射光）
・Principle of photoelectron spectroscopy （光電子分光）
・XAFS and EXAFS （ザフス、エグザフス）
・Interpretation of XPS and XAFS spectra
Topics: Experiments for studying electronic structures hand out document #3 (April 26)
・Interpretations of spectra: XPS, XAFS
・Principle of Mossbauer spctrometry
・Principle of x-ray magnetic circular dichroism (XMCD)
・Band structures in 3d transition-metal compounds
・Storner condition for ferromagnetism
・Scanning Tunneling Microscopy and spectroscopy (STM/STS)
・Angle-resolved photoemission spectroscopy (ARPES)
Topics: Introduction of some functional materials and spectrochemistry hand out document #4 (May 10)
・Principle of novel transistor operation
・Chemistry and physics in Graphene
・Single molecular magnets (SMM) and Kondo effect
・RKKY interaction
・Chemical reaction probed by X-ray spectroscopy
・Band-gap engineering of compound semiconductors
・Work function engineering
Questions and Answer:
Q. Can I submit the reports in Japanese ?
A. Yes, OK.
Q. Is it possible to submit the reports in e-mail or intra-post system 'Gakunai-bin' ?
A. Yes, OK. Anyway, deadline of my part is 3rd June. After that, I cannnot recieve the reports because I submit the grade to the office.
Q. If I cannot attend the class, how submit the report ?
A. Submit in next week or post to my office. Finally, you have to answer eight questions at least in the 1st part.
Q. If my answer was incorrect, is this counted as an answer of one question ?
A. It depends on the quality of answer. I positivily evaluate. As a guarantee, please answer more than eight questions. The answers for eight questions are the minimum task for my 1st part in this class. If you need high greade finally, please answer more. Again, I emphasize that you have to submit the reports not only for 1st part by Okabayashi but also for the 2nd part tasked by Prof. Tsukuda.
References and recommended books for students: Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory Attila Szabo and Neil S. Ostlund (Dover Books on Chemistry) \2,293. You can learn the basic concepts of Hartree-Fock approximation, configuration interaction, Green function, and how to use Feynman diagram, explicitly. I also learned from this book when I was a graduate student. This book is translated in Japanese and published from UTokyo Press.
Introduction to Quantum Mechanics with Applications to Chemistry Daniel C. Harris and Michael D. Bertolucci (Dover Books on Chemistry) \2,690.
If you want to learn point group theory from a chemist's view and the application for vibrational spectroscopy, this book is very nice. I could not support the vibration spectroscopy in this class, which is discussed in this book.
Solid State Physics Giuseppe Grosso and Giuseppe Pastori Parravicini (Academic Press) \10,000.
This is my most favorite book for solid state physics. You can learn all area of solid state physics deeply using teh descriptions by Green functions. You can borrow this book in the Chemistry library. I recommended as a library book. Japanese version is also published from Yoshioka-shoten (See below).
References and recommended books for Japanese students:
磁気工学の基礎I, II 太田恵造（共立出版）
量子力学の基礎、磁性の基礎が丁寧に解説されており、とてもすばらしい名著。磁性研究者の多くが絶賛している（少なくとも私の身近では）。
