Construction of innovatively novel optical semiconductors based on the original chemical design concept, and evolution of their devices

• Project/Area Number: 21H04612
• Research Category: Grant-in-Aid for Scientific Research (A)
• Allocation Type: Single-year Grants
• Section: 一般
• Review Section: Medium-sized Section 26:Materials engineering and related fields
• Research Institution: Institute of Science Tokyo
• Principal Investigator: 平松 秀典 東京工業大学, 科学技術創成研究院, 教授 (80598136)
• Co-Investigator(Kenkyū-buntansha): 飯村 壮史 国立研究開発法人物質・材料研究機構, エネルギー・環境材料研究センター, グループリーダー (80717934)
• Project Period (FY): 2021-04-05 – 2026-03-31
• Project Status: Granted (Fiscal Year 2024)
• Budget Amount: ¥41,730,000 (Direct Cost: ¥32,100,000、Indirect Cost: ¥9,630,000); Fiscal Year 2024: ¥7,150,000 (Direct Cost: ¥5,500,000、Indirect Cost: ¥1,650,000); Fiscal Year 2023: ¥10,790,000 (Direct Cost: ¥8,300,000、Indirect Cost: ¥2,490,000); Fiscal Year 2022: ¥7,020,000 (Direct Cost: ¥5,400,000、Indirect Cost: ¥1,620,000); Fiscal Year 2021: ¥11,180,000 (Direct Cost: ¥8,600,000、Indirect Cost: ¥2,580,000)
• Keywords: 半導体 / 新物質探索 / バルク・薄膜 / 第一原理計算 / デバイス / 輸送特性 / 光物性 / ドーピング

Outline of Research at the Start

光半導体デバイス産業界における以下の二大課題を解決可能な、発光ダイオード（LED）や太陽電池向けの革新的光機能性半導体を見いだし、デバイス化・産学連携へと展開する。
1. 半導体LEDにおける「グリーンギャップ問題」
2. 高い光吸収係数を有する太陽電池光吸収層の新材料がない
これらの課題を解決するために、以下の独自の化学設計指針を打ち立て、それに適合する新材料の探索と薄膜合成・デバイス化を達成し、全く新しい光機能性半導体材料として提案する。

Outline of Annual Research Achievements

本研究において打ち立てた以下2点の化学設計指針に従って、有望物質の探索に取り組むと共に、さらに発展させて新しい有望物質の探索へと進んだ。
・高対称性結晶（具体的にはペロブスカイト型構造）中に意図的に「非結合性軌道」を導入し、適切なバンドギャップと、p型にもn型にもドーピングが可能な電子状態を実現する。
・高効率化に不可欠な直接遷移型にするために、長周期構造を利用したバンドの折りたたみを利用する。
その結果、これまで見いだしてきたペロブスカイト型構造とは全く異なる結晶構造を有する別の有望カルコゲナイド物質を見いだし、その物質の方が、これまで見いだしてきたペロブスカイト型構造カルコゲナイドよりも有望であることが明らかとなったため、光電子物性の解明に注力し、バンドギャップ制御と室温発光、そして、キャリアドーピングに成功した。

Current Status of Research Progress

2: Research has progressed on the whole more than it was originally planned.

Reason

ペロブスカイト型構造とは異なる全く別の結晶構造を有する有望なカルコゲナイド新物質について、光電子物性の解明に注力し、有用な機能発現まで到達している。

Strategy for Future Research Activity

・有望な新物質について、ごく一部の組成の試料純度の改善や、p型とn型のキャリアドープ制御に課題があることから、それら直近の問題点に取り組む。
・その後は、研究の発展と応用を考慮すると、薄膜試料の合成が必須となることから、その取り組みを開始する。

Research Products

• [Journal Article] Reversible Thermal Conductivity Modulation of Non-equilibrium (Sn1-xPbx)S by 2D-3D Structural Phase Transition above Room Temperature (2023)
  • Author(s): Zhongxu Hu, Mari Hiramatsu, Xinyi He, Takayoshi Katase, Terumasa Tadano, Keisuke Ide, Hidenori Hiramatsu, Hideo Hosono, Toshio Kamiya
  • Journal Title: ACS Appl. Energy Mater. Volume: 6 Issue: 6 Pages: 3504-3513
  • DOI: 10.1021/acsaem.3c00060
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Hydride Anion Substitution Boosts Thermoelectric Performance of Polycrystalline SrTiO3 via Simultaneous Realization of Reduced Thermal Conductivity and High Electronic Conductivity (2023)
  • Author(s): He Xinyi、Nomoto Seiya、Komatsu Takehito、Katase Takayoshi、Tadano Terumasa、Kitani Suguru、Yoshida Hideto、Yamamoto Takafumi、Mizoguchi Hiroshi、Ide Keisuke、Hiramatsu Hidenori、Kawaji Hitoshi、Hosono Hideo、Kamiya Toshio
  • Journal Title: Advanced Functional Materials Volume: 33 Issue: 28 Pages: 2213144-2213144
  • DOI: 10.1002/adfm.202213144
  • Peer Reviewed / Open Access
• [Journal Article] Effect of iron substitution on electronic conductivity of bismuth sesquioxide glasses (2023)
  • Author(s): Mitsui Kazuki、Hu Zhongxu、Hanzawa Kota、Katase Takayoshi、Hiramatsu Hidenori、Saitoh Akira
  • Journal Title: Journal of Applied Physics Volume: 134 Issue: 7 Pages: 075101-075101
  • DOI: 10.1063/5.0149523
  • Peer Reviewed
• [Journal Article] Inverse-Perovskite Ba3BO (B = Si and Ge) as a High Performance Environmentally Benign Thermoelectric Material with Low Lattice Thermal Conductivity (2023)
  • Author(s): He Xinyi、Kimura Shigeru、Katase Takayoshi、Tadano Terumasa、Matsuishi Satoru、Minohara Makoto、Hiramatsu Hidenori、Kumigashira Hiroshi、Hosono Hideo、Kamiya Toshio
  • Journal Title: Advanced Science Volume: 11 Issue: 10 Pages: 2307058-2307058
  • DOI: 10.1002/advs.202307058
  • Peer Reviewed / Open Access
• [Journal Article] Effect of fluorine doping on the optical and mechanical properties of bismuth-containing silicate and borate glasses (2022)
  • Author(s): K. Hayashi, T. Shimizu, S. Matsuishi, H. Hiramatsu, and A. Saitoh
  • Journal Title: J. Mater. Sci.: Mater. Electron. Volume: 33 Issue: 4 Pages: 2242-2256
  • DOI: 10.1007/s10854-021-07508-8
  • Peer Reviewed
• [Journal Article] Degenerated Hole Doping and Ultra-Low Lattice Thermal Conductivity in Polycrystalline SnSe by Nonequilibrium Isovalent Te Substitution (2022)
  • Author(s): Xinyi He, Haoyun Zhang, Takumi Nose, Takayoshi Katase, Terumasa Tadano, Keisuke Ide, Shigenori Ueda, Hidenori Hiramatsu, Hideo Hosono, and Toshio Kamiya
  • Journal Title: Adv. Sci. Volume: 0 Issue: 13 Pages: 2105958-2105958
  • DOI: 10.1002/advs.202105958
  • Peer Reviewed / Open Access
• [Journal Article] Electronic and Lattice Thermal Conductivity Switching by 3D-2D Crystal Structure Transition in Nonequilibrium (Pb1-xSnx)Se (2022)
  • Author(s): Y. Nishimura, Xinyi He, Takayoshi Katase, Terumasa Tadano, Keisuke Ide, Suguru Kitani, Kota Hanzawa, Shigenori Ueda, Hidenori Hiramatsu, Hitoshi Kawaji, Hideo Hosono, and Toshio Kamiya
  • Journal Title: Adv. Electron. Mater. Volume: 0 Issue: 9 Pages: 2200024-2200024
  • DOI: 10.1002/aelm.202200024
  • Peer Reviewed / Open Access
• [Journal Article] Low Residual Carrier Density and High In-Grain Mobility in Polycrystalline Zn3N2 Films on a Glass Substrate (2022)
  • Author(s): Kaiwen Li, Atsushi Shimizu, Xinyi He, Keisuke Ide*, Kota Hanzawa, Kosuke Matsuzaki, Takayoshi Katase, Hidenori Hiramatsu, Hideo Hosono, Qun Zhang*, and Toshio Kamiya
  • Journal Title: ACS Applied Electronic Materials Volume: 4 Issue: 4 Pages: 2026-2031
  • DOI: 10.1021/acsaelm.2c00181
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] High-Mobility Metastable Rock-Salt Type (Sn,Ca)Se Thin Film Stabilized by Direct Epitaxial Growth on a YSZ (111) Single-Crystal Substrate (2022)
  • Author(s): Xinyi He, Jinshuai Chen, Takayoshi Katase, Makoto Minohara, Keisuke Ide, Hidenori Hiramatsu, Hiroshi Kumigashira, Hideo Hosono, and Toshio Kamiya
  • Journal Title: ACS Appl. Mater. Interfaces Volume: 14 Issue: 16 Pages: 18682-18689
  • DOI: 10.1021/acsami.2c01464
  • Peer Reviewed
• [Journal Article] Design, Synthesis, and Optoelectronic Properties of the High-Purity Phase in Layered AETMN2 (AE = Sr, Ba; TM = Ti, Zr, Hf) Semiconductors (2022)
  • Author(s): Akihiro Shiraishi, Shigeru Kimura, Xinyi He, Naoto Watanabe, Takayoshi Katase, Keisuke Ide, Makoto Minohara, Kosuke Matsuzaki, Hidenori Hiramatsu, Hiroshi Kumigashira, Hideo Hosono, and Toshio Kamiya
  • Journal Title: Inorg. Chem. Volume: 61 Issue: 17 Pages: 6650-6659
  • DOI: 10.1021/acs.inorgchem.2c00604
  • Peer Reviewed
• [Journal Article] Low-temperature-processable amorphous-oxide-semiconductor-based phosphors for durable light-emitting diodes (2022)
  • Author(s): Ide Keisuke、Watanabe Naoto、Katase Takayoshi、Sasase Masato、Kim Junghwan、Ueda Shigenori、Horiba Koji、Kumigashira Hiroshi、Hiramatsu Hidenori、Hosono Hideo、Kamiya Toshio
  • Journal Title: Applied Physics Letters Volume: 121 Issue: 19 Pages: 192108-192108
  • DOI: 10.1063/5.0115384
  • Peer Reviewed
• [Journal Article] Defect formation and carrier compensation in layered oxychalcogenide La₂CdO₂Se₂: an insight from first principles (2022)
  • Author(s): Gake Tomoya、Kumagai Yu、Takahashi Akira、Hiramatsu Hidenori、Oba Fumiyasu
  • Journal Title: Journal of Materials Chemistry C Volume: 10 Issue: 44 Pages: 16828-16837
  • DOI: 10.1039/d2tc03836f
  • Peer Reviewed
• [Journal Article] Large phonon drag thermopower boosted by massive electrons and phonon leaking in LaAlO3/LaNiO3/LaAlO3 heterostructure (2021)
  • Author(s): Masatoshi Kimura, Xinyi He, Takayoshi Katase, Terumasa Tadano, Jan M. Tomczak, Makoto Minohara, Ryotaro Aso, Hideto Yoshida, Keisuke Ide, Shigenori Ueda, Hidenori Hiramatsu, Hiroshi Kumigashira, Hideo Hosono, and Toshio Kamiya
  • Journal Title: Nano Lett. Volume: 21 Issue: 21 Pages: 9240-9246
  • DOI: 10.1021/acs.nanolett.1c03143
  • Peer Reviewed / Open Access / Int'l Joint Research