A-2 : Advanced Characterization, Computation, and Extreme Conditions for Discovery and Functional Exploration of Transition-Metal Compounds

Organizers:

Representative
· Dr. Takuya SASAKI Nagoya University
Correspondence
· Dr. Takuya SASAKI Nagoya University [email protected]
Organizers
· Prof. Yuto ISHII University of Tokyo
· Prof. Daigorou HIRAI Nagoya University
· Prof. Takahiro YAMADA Tohoku University
· Prof. Masahiro NAGAO Nagoya University
· Prof. Hiroyuki YOSHIDA Hokkaido University
· Prof. Yoshihiro TSUJIMOTO NIMS
· Prof. Kazunari YAMAURA NIMS

Scope:

Transition-metal compounds exhibit a wide variety of physical properties and functionalities arising from their diverse crystal and electronic structures and from the complex interplay among the charge, spin, and orbital degrees of freedom of valence electrons. They therefore constitute an important class of materials in a broad range of fields, from fundamental science to the development of functional materials, including superconductors, topological materials, semiconductors, thermoelectric materials, magnetic materials, optical materials, and catalysts. In recent years, synthesis under extreme conditions, such as high pressure and non-equilibrium environments, has led to the discovery of new materials with unconventional crystal structures and electronic states that are inaccessible in thermodynamically stable phases. At the same time, advances in advanced characterization techniques, including quantum beam methods, together with first-principles calculations, have greatly improved the evaluation of physical properties, including those under extreme conditions, and deepened our understanding of the mechanisms underlying material properties. These developments are opening new opportunities for materials design and functional exploration based on structure-electronic state-property relationships.
This session focuses on transition-metal compounds and covers the synthesis of new materials in unique reaction environments, property evaluation by advanced characterization techniques, elucidation of structure-property-function relationships, computational approaches for materials development and property understanding, and the creation of functional materials. Through presentations and discussions from diverse perspectives, the session aims to stimulate new research directions bridging fundamental science and applications, while promoting interdisciplinary collaboration among researchers in solid-state chemistry, condensed matter physics, applied physics, and computational science.

Topics:

1. Synthesis of new materials in unique reaction environments
2. Advanced characterization techniques and property evaluation
3. Crystal structures and structure–property–function relationships
4. Materials design and property understanding using computational science
5. Creation and functional exploration of materials