日本金属学会2024年秋期(第175回)講演大会

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11.Computational Science » Computational Science

[P] P214~P221

Wed. Sep 18, 2024 4:00 PM - 5:30 PM Poster Session Room1 (Assembly Hall at Osaka Univ. Hall)

4:00 PM - 5:30 PM

[P217] First-Principles Study of High-Density Carrier Doping in Wide-Gap Oxides

*Hiroki Ishii1, Teruya Nagafuji1, Akira Takahashi2, Fumiyasu Oba2 (1. Laboratory for Materials and Structures, Institute of Innovative Research, Tokyo Institute of Technology (M), 2. Laboratory for Materials and Structures, Institute of Innovative Research, Tokyo Institute of Technology)

Keywords:透明導電体、第一原理計算、ドーピング、点欠陥

In2O3:Snをはじめとする透明導電性を示す5つの系とそれらの母結晶にFをドープした系について,フェルミ準位およびキャリア電子密度の上限を第一原理計算により調査した.

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