Systematic QSGW analysis of excited states of Cr<sup>3+</sup>-doped crystals and computational materials design of near-infrared phosphors

Harutaka Saito

14:00 〜 14:20

[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 Sato^1,2,3, Takao Kotani^2,4 (1. Osaka Univ. (Japan), 2. CSRN, Osaka Univ. (Japan), 3. OTRI, Osaka Univ. (Japan), 4. Tottori Univ. (Japan))

キーワード：First-principles calculations, Quasiparticle self-consistent GW, Optical excitations, Transition metal

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講演情報

[A1-O202] Oral 202

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

講演情報

[A1-O202] Oral 202

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

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