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Elucidation of SiC-MOS interfaces by developing electronic structure calculation methods

Research Project

Project/Area Number 21H04553
Research Category

Grant-in-Aid for Scientific Research (A)

Allocation TypeSingle-year Grants
Section一般
Review Section Medium-sized Section 21:Electrical and electronic engineering and related fields
Research InstitutionTokyo Institute of Technology

Principal Investigator

Matsushita Yu-ichiro  東京工業大学, 科学技術創成研究院, 特任准教授 (90762336)

Co-Investigator(Kenkyū-buntansha) 藤ノ木 享英 (梅田享英)  筑波大学, 数理物質系, 准教授 (10361354)
大島 武  国立研究開発法人量子科学技術研究開発機構, 高崎量子応用研究所 量子機能創製研究センター, センター長 (50354949)
吉岡 裕典  国立研究開発法人産業技術総合研究所, エネルギー・環境領域, 主任研究員 (60712528)
土方 泰斗  埼玉大学, 理工学研究科, 准教授 (70322021)
押山 淳  名古屋大学, 未来材料・システム研究所, 特任教授 (80143361)
Project Period (FY) 2021-04-05 – 2024-03-31
Project Status Completed (Fiscal Year 2023)
Budget Amount *help
¥42,250,000 (Direct Cost: ¥32,500,000、Indirect Cost: ¥9,750,000)
Fiscal Year 2023: ¥13,650,000 (Direct Cost: ¥10,500,000、Indirect Cost: ¥3,150,000)
Fiscal Year 2022: ¥13,650,000 (Direct Cost: ¥10,500,000、Indirect Cost: ¥3,150,000)
Fiscal Year 2021: ¥14,950,000 (Direct Cost: ¥11,500,000、Indirect Cost: ¥3,450,000)
KeywordsSiC / 界面欠陥 / SiC-MOS / 量子コンピュータ / 虚時間発展法 / DFT / 界面処理 / 有効質量近似 / 電子状態計算 / 界面 / 局在 / 移動度キラー
Outline of Research at the Start

SiC-MOSデバイスは、Siに変わる次世代パワーデバイスとして大きな注目を集めている。しかし、そのSiC-MOS界面(SiC/SiO2界面)には多くの課題が山積している。界面近傍において電子や正孔の移動度に影響を与える欠陥が多量に存在していることが知られている。それらデバイス特性に影響を与える欠陥構造を理論と実験の共同研究により改名することが本研究課題の目的である。また、それを実現するための理論計算手法の確立も本研究課題の目的の1つである。これにより、電子・正孔特性に影響を及ぼすSiC/SiO2界面近傍の欠陥の特定と、界面処理法として知られる窒化界面処理法の微視的有効性の解明を行う。

Outline of Final Research Achievements

SiC-MOS devices are attracting significant attention as next-generation power devices. However, there are many challenges associated with the SiC/SiO2 interface. The presence of high-density defects near the interface is the cause of these challenges. Joint theoretical and experimental research to identify interface defects at the atomic level, their countermeasures, and to elucidate the physics of interface treatment is important. This research project has revealed: (i) the establishment of a high-precision electronic state analysis method for interface defects, (ii) the peculiarities of the conduction band edge of SiC induce abnormal localization at the interface, acting as interface defects, and further cause the breakdown of the effective mass approximation, (iii) the mechanism by which nitrogen interface treatment improves mobility.

Academic Significance and Societal Importance of the Research Achievements

SiC-MOSデバイスは、次世代パワーデバイスとして大きな注目を集める一方、そのMOS界面には多くの課題が山積している。原子レベルでの界面欠陥の特定と、そのデバイス特性との相関関係を解明することは学術的にも産業界的にも重要な課題である。本研究成果で得られた、界面欠陥の高精度な電子状態の解析法や、さらには有効質量近似の破綻を引き起こしているメカニズムを明らかにした点は、極めて普遍性が高く、SiCに限った話ではない。本研究課題では半導体物理学の深化を促すことができ、学術的にも社会的にも十分に意義深い成果を得ることができた。

Report

(5 results)
  • 2023 Annual Research Report   Final Research Report ( PDF )
  • 2022 Annual Research Report
  • 2021 Comments on the Screening Results   Annual Research Report
  • Research Products

    (35 results)

All 2024 2023 2022 2021 Other

All Journal Article (22 results) (of which Peer Reviewed: 19 results,  Open Access: 13 results) Presentation (6 results) (of which Int'l Joint Research: 6 results) Book (1 results) Remarks (1 results) Patent(Industrial Property Rights) (5 results) (of which Overseas: 2 results)

  • [Journal Article] Optimized Synthesis of Circuits for Diagonal Unitary Matrices with Reflection Symmetry2024

    • Author(s)
      Huang Xinchi、Kosugi Taichi、Nishi Hirofumi、Matsushita Yu-ichiro
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: 93 Issue: 5 Pages: 054002-054015

    • DOI

      10.7566/jpsj.93.054002

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Quadratic acceleration of multistep probabilistic algorithms for state preparation2024

    • Author(s)
      Nishi Hirofumi、Kosugi Taichi、Nishiya Yusuke、Matsushita Yu-ichiro
    • Journal Title

      Physical Review Research

      Volume: 6 Issue: 2

    • DOI

      10.1103/physrevresearch.6.l022041

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Qubit encoding for a mixture of localized functions2024

    • Author(s)
      Taichi Kosugi, Shunsuke Daimon, Hirofumi Nishi, Yu-ichiro Matsushita
    • Journal Title

      arXiv

      Volume: arXiv:2404.18529 Pages: 1-21

    • Related Report
      2023 Annual Research Report
    • Open Access
  • [Journal Article] Temperature and size dependence of energy barrier for magnetic flips in L10 FePt nanoparticles: A theoretical study2024

    • Author(s)
      Tran Hung Ba、Matsushita Yu-ichiro
    • Journal Title

      Scripta Materialia

      Volume: 242 Pages: 115947-115947

    • DOI

      10.1016/j.scriptamat.2023.115947

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Annealing for prediction of grand canonical crystal structures: Implementation of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>n</mml:mi></mml:math>-body atomic interactions2024

    • Author(s)
      Couzini? Yannick、Nishiya Yusuke、Nishi Hirofumi、Kosugi Taichi、Nishimori Hidetoshi、Matsushita Yu-ichiro
    • Journal Title

      Physical Review A

      Volume: 109 Issue: 3 Pages: 032416-032427

    • DOI

      10.1103/physreva.109.032416

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] First-quantized adiabatic time evolution for the ground state of a many-electron system and the optimal nuclear configuration2024

    • Author(s)
      Nishiya Yusuke、Nishi Hirofumi、Couzini? Yannick、Kosugi Taichi、Matsushita Yu-ichiro
    • Journal Title

      Physical Review A

      Volume: 109 Issue: 2 Pages: 022423-022433

    • DOI

      10.1103/physreva.109.022423

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Skyrmions in van der Waals centrosymmetric materials with Dzyaloshinskii?Moriya interactions2024

    • Author(s)
      Tran Hung Ba、Matsushita Yu-ichiro
    • Journal Title

      Scripta Materialia

      Volume: 239 Pages: 115799-115799

    • DOI

      10.1016/j.scriptamat.2023.115799

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Systematic study on the dependence of the warm-start quantum approximate optimization algorithm on approximate solutions2024

    • Author(s)
      Okada Ken N.、Nishi Hirofumi、Kosugi Taichi、Matsushita Yu-ichiro
    • Journal Title

      Scientific Reports

      Volume: 14 Issue: 1 Pages: 1167-1175

    • DOI

      10.1038/s41598-023-50406-8

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Channel Attention for Quantum Convolutional Neural Networks2023

    • Author(s)
      Gekko Budiutama, Shunsuke Daimon, Hirofumi Nishi, Ryui Kaneko, Tomi Ohtsuki, Yu-ichiro Matsushita
    • Journal Title

      arXiv

      Volume: arXiv:2311.02871 Search... Pages: 1-6

    • Related Report
      2023 Annual Research Report
    • Open Access
  • [Journal Article] Exhaustive search for optimal molecular geometries using imaginary-time evolution on a quantum computer2023

    • Author(s)
      Kosugi Taichi、Nishi Hirofumi、Matsushita Yu-ichiro
    • Journal Title

      npj Quantum Information

      Volume: 9 Issue: 1 Pages: 112-122

    • DOI

      10.1038/s41534-023-00778-6

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Energy levels of carbon dangling-bond center (PbC center) at 4H-SiC(0001)/SiO2 interface2023

    • Author(s)
      Sometani Mitsuru、Nishiya Yusuke、Kondo Ren、Inohana Rei、Zeng Hongyu、Hirai Hirohisa、Okamoto Dai、Matsushita Yu-ichiro、Umeda Takahide
    • Journal Title

      APL Materials

      Volume: 11 Issue: 11 Pages: 111119-111124

    • DOI

      10.1063/5.0171143

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Optimal scheduling in probabilistic imaginary-time evolution on a quantum computer2023

    • Author(s)
      Nishi Hirofumi、Hamada Koki、Nishiya Yusuke、Kosugi Taichi、Matsushita Yu-ichiro
    • Journal Title

      Physical Review Research

      Volume: 5 Issue: 4 Pages: 043048-043061

    • DOI

      10.1103/physrevresearch.5.043048

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Quadratic acceleration of multi-step probabilistic algorithms for state preparation2023

    • Author(s)
      Hirofumi Nishi, Taichi Kosugi, Yusuke Nishiya, Yu-ichiro Matsushita
    • Journal Title

      arXiv

      Volume: arXiv:2308.03605 Pages: 1-11

    • Related Report
      2023 Annual Research Report
    • Open Access
  • [Journal Article] First-quantized eigensolver for ground and excited states of electrons under a uniform magnetic field2023

    • Author(s)
      Kosugi Taichi、Nishi Hirofumi、Matsushita Yu-ichiro
    • Journal Title

      Japanese Journal of Applied Physics

      Volume: 62 Issue: 6 Pages: 062004-062004

    • DOI

      10.35848/1347-4065/acddc0

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Effect of nitrogen introduced at the SiC/SiO<sub>2</sub>interface and SiC side on the electronic states by first-principles calculation2023

    • Author(s)
      Tachiki Keita、Nishiya Yusuke、Iwata Jun-Ichi、Matsushita Yu-ichiro
    • Journal Title

      Japanese Journal of Applied Physics

      Volume: 62 Issue: 6 Pages: 061005-061005

    • DOI

      10.35848/1347-4065/acd9ff

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Dzyaloshinskii?Moriya interactions in Nd2Fe14B as the origin of spin reorientation and the rotating magnetocaloric effect2023

    • Author(s)
      Tran Hung Ba、Matsushita Yu-ichiro
    • Journal Title

      Applied Materials Today

      Volume: 32 Pages: 101825-101825

    • DOI

      10.1016/j.apmt.2023.101825

    • Related Report
      2023 Annual Research Report 2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Atomic scale localization of Kohn?Sham wavefunction at SiO2/4H?SiC interface under electric field, deviating from envelope function by effective mass approximation2023

    • Author(s)
      Yoshioka Hironori (吉岡裕典); Iwata Jun-Ichi (岩田潤一); Matsushita Yu-ichiro (松下雄一郎)
    • Journal Title

      Applied Physics Letters

      Volume: 122 Issue: 22 Pages: 222104-222114

    • DOI

      10.1063/5.0151547

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Spin property improvement of boron vacancy defect in hexagonal boron nitride by thermal treatment2023

    • Author(s)
      T. Suzuki, Y. Yamazaki, T. Taniguchi, K. Watanabe, Y. Nishiya, Y.-i. Matsushita, K. Harii, Y. Masuyama, Y. Hijikata, and T. Ohshima
    • Journal Title

      Applied Physics Express

      Volume: 16 Issue: 3 Pages: 032006-032006

    • DOI

      10.35848/1882-0786/acc442

    • Related Report
      2022 Annual Research Report 2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Atomic and electronic structures of nitrogen vacancies in silicon nitride: Emergence of floating gap states2022

    • Author(s)
      Nanataki Fugo、Shiraishi Kenji、Iwata Jun-ichi、Matsushita Yu-ichiro、Oshiyama Atsushi
    • Journal Title

      Physical Review B

      Volume: 106 Issue: 15 Pages: 155201-155201

    • DOI

      10.1103/physrevb.106.155201

    • Related Report
      2022 Annual Research Report 2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Imaginary-time evolution using forward and backward real-time evolution with a single ancilla: First-quantized eigensolver algorithm for quantum chemistry2022

    • Author(s)
      Kosugi Taichi、Nishiya Yusuke、Nishi Hirofumi、Matsushita Yu-ichiro
    • Journal Title

      Physical Review Research

      Volume: 4 Issue: 3 Pages: 033121-033131

    • DOI

      10.1103/physrevresearch.4.033121

    • Related Report
      2022 Annual Research Report 2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Insight into anisotropic magnetocaloric effect of CrI32022

    • Author(s)
      Tran Hung Ba、Momida Hiroyoshi、Matsushita Yu-ichiro、Shirai Koun、Oguchi Tamio
    • Journal Title

      Acta Materialia

      Volume: 231 Pages: 117851-117851

    • DOI

      10.1016/j.actamat.2022.117851

    • Related Report
      2022 Annual Research Report 2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Effect of magnetocrystalline anisotropy on magnetocaloric properties of an AlFe2B2 compound2022

    • Author(s)
      Tran Hung Ba、Momida Hiroyoshi、Matsushita Yu-ichiro、Sato Kazunori、Makino Yukihiro、Shirai Koun、Oguchi Tamio
    • Journal Title

      Physical Review B

      Volume: 105 Issue: 13 Pages: 134402-134409

    • DOI

      10.1103/physrevb.105.134402

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Presentation] Imaginary-time evolution with a single ancilla: first-quantized eigensolver for electronic structure calculation in quantum chemistry2023

    • Author(s)
      Yusuke Nishiya, Taichi Kosugi, Hirofumi Nishi, Yu-Ichiro Matsushita
    • Organizer
      APS March Meeting
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Multiscale simulations toward magnetic loss and magnetic recording2023

    • Author(s)
      Hung Tran, Yu-Ichiro Matsushita
    • Organizer
      APS March Meeting
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Improving success probability of imaginary-time evolution on a quantum computer2023

    • Author(s)
      Hirofumi Nishi, Taichi Kosugi, Yusuke Nishiya, Yu-Ichiro Matsushita
    • Organizer
      APS March Meeting
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Skyrmions in van der Waals centrosymmetric materials2023

    • Author(s)
      Hung Tran, Yu-Ichiro Matsushita
    • Organizer
      APS March Meeting
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Origin of spin reorientation in Nd2Fe14B permanent magnet2023

    • Author(s)
      Yu-Ichiro Matsushita, Hung Tran
    • Organizer
      APS March Meeting
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Geometric optimization based on first-quantized Hamiltonian using imaginary-time evolution on a quantum computer2023

    • Author(s)
      Yu-Ichiro Matsushita, Hirofumi Nishi, Taichi Kosugi
    • Organizer
      APS March Meeting
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Book] Handbook of Silicon Carbide Materials and Devices2023

    • Author(s)
      Yasuto Hijikata, Yu-ichiro Matsushita, Takeshi Ohshima
    • Total Pages
      19
    • Publisher
      CRC Press
    • ISBN
      9780367188269
    • Related Report
      2023 Annual Research Report
  • [Remarks] 松下研究室

    • URL

      https://www.msl.titech.ac.jp/~matsushita/

    • Related Report
      2023 Annual Research Report 2022 Annual Research Report
  • [Patent(Industrial Property Rights)] 量子計算機、計算手法2024

    • Inventor(s)
      小杉太一、西紘史、松下雄一郎
    • Industrial Property Rights Holder
      小杉太一、西紘史、松下雄一郎
    • Industrial Property Rights Type
      特許
    • Industrial Property Number
      2024-072398
    • Filing Date
      2024
    • Related Report
      2023 Annual Research Report
  • [Patent(Industrial Property Rights)] 量子計算機、計算手法2023

    • Inventor(s)
      小杉太一、西紘史、松下雄一郎
    • Industrial Property Rights Holder
      小杉太一、西紘史、松下雄一郎
    • Industrial Property Rights Type
      特許
    • Industrial Property Number
      2023-127421
    • Filing Date
      2023
    • Related Report
      2023 Annual Research Report
  • [Patent(Industrial Property Rights)] Quantum computer, non-transitory computer readable media storing program, quantum calculation method, and quantum circuit2021

    • Inventor(s)
      松下雄一郎、小杉太一
    • Industrial Property Rights Holder
      松下雄一郎、小杉太一
    • Industrial Property Rights Type
      特許
    • Filing Date
      2021
    • Acquisition Date
      2023
    • Related Report
      2022 Annual Research Report
    • Overseas
  • [Patent(Industrial Property Rights)] 計算、および計算機アルゴリズム2021

    • Inventor(s)
      小杉太一、西紘史、松下雄一郎
    • Industrial Property Rights Holder
      小杉太一、西紘史、松下雄一郎
    • Industrial Property Rights Type
      特許
    • Filing Date
      2021
    • Related Report
      2021 Annual Research Report
  • [Patent(Industrial Property Rights)] 計算、および計算機アルゴリズム2021

    • Inventor(s)
      小杉太一、西紘史、松下雄一郎
    • Industrial Property Rights Holder
      小杉太一、西紘史、松下雄一郎
    • Industrial Property Rights Type
      特許
    • Filing Date
      2021
    • Related Report
      2021 Annual Research Report
    • Overseas

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Published: 2021-04-28   Modified: 2025-01-30  

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