日本金属学会2023年秋期(第173回)講演大会

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[J] JIM-ISIJ Joint Session Titanium and Its alloys

Thu. Sep 21, 2023 9:30 AM - 12:00 PM Rm. Q (2nd Flr.,School of Humanities Bldg.)

座長:白石 貴久(熊本大学)、佐原 亮二(国立研究開発法人　物質・材料研究機構)

10:10 AM - 10:30 AM

[J3] Electronic structure analysis of light element doped rutile TiO2 using the all-electron mixed basis GW approach

*Ryoji SAHARA1, Takashi ISHIKAWA2, Kaoru OHNO3, Kyosuke UEDA4, Takayuki NARUSHIMA4 (1. NIMS, 2. Graduate School of Eng. Tohoku Univ.(M2), 3. Yokohama National Univ., 4. Graduate School of Eng. Tohoku Univ.)

Keywords:全電子GW 計算、軽元素添加ルチル型TiO2、バンドギャップ、電子状態

Electronic structure analysis of light element doped rutile TiO2 using the all-electron mixed basis GW approach

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