The 70th JSAP Spring Meeting 2023

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Symposium (Oral)

Symposium » 【Onsite Only】Materials with Hyperordered Structures and their Applications

[16p-A404-1~11] 【Onsite Only】Materials with Hyperordered Structures and their Applications

Thu. Mar 16, 2023 1:30 PM - 6:00 PM A404 (Building No. 6)

Hirokazu Masai(AIST), Hitoshi Wakabayashi(Tokyo Tech), Kazuo Tsutsui(Tokyo Tech), Madoka Ono(Hokkaido Univ./AGC), Koichi Hayashi(Nagoya Inst. Tech.)

3:45 PM - 4:00 PM

[16p-A404-6] Dielectric constant in titanium oxides with a local strain

〇Yuho Shimano1, Asahi Ryoji1, Alex Kutana1 (1.Nagoya Univ.)

Keywords:dielectric material, materials informatics, first-principles calculation

In this study, a relation between Ti-O bonding distance and dielectric constant in co-doped rutile TiO2 was investigated by using first-principles calculations. The results suggested that the dielectric constant can be increased along with a local instability of the Ti-O bonding. We also suggested possible enhancement of the dielectric constant in ternary Ti oxides by the same mechanism.