MRM2023/IUMRS-ICA2023

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Oral Session

A. Fundamentals » [A-1] New Methodology for Developing Innovative Materials

[A1-O202] Oral 202

Tue. Dec 12, 2023 2:00 PM - 4:00 PM Session 5 (Room E)

Chair: Naoki Ohashi (National Institute for Materials Science)

2:00 PM - 2:20 PM

[A1-O202-01] Systematic QSGW analysis of excited states of Cr3+-doped crystals and computational materials design of near-infrared phosphors

*Harutaka Saito1, Katsuhiro Suzuki1, Kazunori Sato1,2,3, Takao Kotani2,4 (1. Osaka Univ. (Japan), 2. CSRN, Osaka Univ. (Japan), 3. OTRI, Osaka Univ. (Japan), 4. Tottori Univ. (Japan))

Keywords:First-principles calculations, Quasiparticle self-consistent GW, Optical excitations, Transition metal

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