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Accurate site-selective atomic structure determination by single-energy x-ray holography

Research Project

Project/Area Number 20K15027
Research Category

Grant-in-Aid for Early-Career Scientists

Allocation TypeMulti-year Fund
Review Section Basic Section 26020:Inorganic materials and properties-related
Research InstitutionKyoto University (2023)
Nagoya University (2022)
Hiroshima University (2020-2021)

Principal Investigator

STELLHORN JENSRUEDIGER  京都大学, 工学研究科, 特定研究員 (90868431)

Project Period (FY) 2020-04-01 – 2025-03-31
Project Status Granted (Fiscal Year 2023)
Budget Amount *help
¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000)
Fiscal Year 2023: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2022: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2021: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2020: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Keywordsx-ray holography / site-selectivity / local atomic structure / local disorder / local structure / atomic structure / local atomic environment
Outline of Research at the Start

The project will develop an effective way to analyze local atomic environments with chemical information using x-ray holography. This site-selective information is a key to understand the structure-property relationships in materials particularly for complex systems.

Outline of Annual Research Achievements

New advances in methods using x-ray fluorescence holography (XFH) have the potential to become a universal tool for site-selective investigations in crystals. These methods combine the intrinsic element-selectivity of XFH with the possibility for a chemical characterization of the environment. This is achieved by a resonant approach, i.e. tuning the x-ray energy to an energy that coincides with an x-ray absorption edge in the material.
The proposed project aims to practically implement such site-selective measurements and to apply them to current research issues in materials science. This approach is useful for, among else, identifying local atomic environments with chemical information and for understanding in detail the chemical disorder. One of the obstacles here is the atomic image cancellation effect, which leads to a large decrease in the signal intensity of certain pairs of distances and incident energies.
In this FY, the investigation using resonant XFH of a short-range-ordered Ni-Fe alloy was advanced. Furthermore, we investigated computationally the effect of various kinds of disorder on the holographic data to establish a reference for future experimental works. This approach was also employed to compare the data about local atomic disorder from holographic techniques with those from established methods like Diffuse Scattering. The XFH data are found to complement existing information well due to its site-selective properties.

Current Status of Research Progress
Current Status of Research Progress

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

Reason

The project is progressing smoothly. Experiments at large-scale research facilities were conducted as planned, and another 2 experiments for FY 2024 are already approved.

Strategy for Future Research Activity

In the further course of this research, it is planned to apply the insight gathered so far for a complex functional material, which is a High Entropy Alloy consisting of 6 principal elements. The site-selective investigations developed here can significantly push forward the current knowledge about the structure of these highly topical material system. In particular, it will be interesting to investigate whether short-range atomic order exists between specific elements, which can have a major impact on the material properties.

Report

(4 results)
  • 2023 Research-status Report
  • 2022 Research-status Report
  • 2021 Research-status Report
  • 2020 Research-status Report
  • Research Products

    (22 results)

All 2024 2023 2022 2021 2020 Other

All Int'l Joint Research (2 results) Journal Article (5 results) (of which Int'l Joint Research: 4 results,  Peer Reviewed: 5 results,  Open Access: 2 results) Presentation (15 results) (of which Int'l Joint Research: 10 results,  Invited: 3 results)

  • [Int'l Joint Research] Marburg University(ドイツ)

    • Related Report
      2023 Research-status Report
  • [Int'l Joint Research] Science and Engineering of Materials/and Processes/SIMaP Laboratory(フランス)

    • Related Report
      2023 Research-status Report
  • [Journal Article] Structural origins of the unusual thermal stability of amorphous Cu_xGe_(50-x)Te_50 (0<x<33.3)2023

    • Author(s)
      Stellhorn J R、Paulus B、Klee B D、Inui M、Taniguchi H、Sutou Y、Hosokawa S、Pilgrim W-C
    • Journal Title

      Journal of Physics: Condensed Matter

      Volume: 35 Issue: 30 Pages: 304004-304004

    • DOI

      10.1088/1361-648x/acce13

    • Related Report
      2023 Research-status Report 2022 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Local Cluster Distortions in Amorphous Organotin Sulfide Compounds and Their Influence on the Nonlinear Optical Properties2022

    • Author(s)
      Stellhorn Jens R., Hayakawa Shinjiro, Klee Benjamin D., Paulus Benedict, Link Vasco Jonathan, Rinn Niklas, Rojas Leon Iran, Hosier Christopher A., Dehnen Stefanie, Pilgrim Wolf‐Christia
    • Journal Title

      Advanced Optical Materials

      Volume: 11 Issue: 2 Pages: 2201932-2201932

    • DOI

      10.1002/adom.202201932

    • Related Report
      2022 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Local Structure of Amorphous Organotin Sulfide Clusters by Low‐Energy X‐Ray Absorption Fine Structure2022

    • Author(s)
      Stellhorn Jens R.、Hayakawa Shinjiro、Klee Benjamin D.、Paulus Benedict、Link Vasco Jonathan、Rinn Niklas、Rojas Le?n Ir?n、Dehnen Stefanie、Pilgrim Wolf-Christian
    • Journal Title

      physica status solidi (b)

      Volume: 259 Issue: 9 Pages: 2200088-2200088

    • DOI

      10.1002/pssb.202200088

    • Related Report
      2022 Research-status Report 2021 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Short‐Range Order Investigation of CuxGe50-xTe50 Phase‐Change Materials2022

    • Author(s)
      Paulus Benedict、Stellhorn Jens R.、Hosokawa Shinya、Klee Benjamin D.、Sutou Yuji、Pilgrim Wolf-Christian
    • Journal Title

      physica status solidi (b)

      Volume: - Issue: 9 Pages: 2100619-2100619

    • DOI

      10.1002/pssb.202100619

    • Related Report
      2022 Research-status Report 2021 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] The Local Structure of the Fibonacci Chain and the Penrose Tiling from X-Ray Fluorescence Holography2021

    • Author(s)
      Stellhorn Jens R.、Takakura Hiroyuki、Hosokawa Shinya、Hayashi Kouichi
    • Journal Title

      MATERIALS TRANSACTIONS

      Volume: 62 Issue: 3 Pages: 342-349

    • DOI

      10.2320/matertrans.MT-MB2020005

    • NAID

      130007990783

    • ISSN
      1345-9678, 1347-5320
    • Year and Date
      2021-03-01
    • Related Report
      2020 Research-status Report
    • Peer Reviewed / Open Access
  • [Presentation] Interplay between atomic structure and physical properties in chalcogenide phase-change materials2024

    • Author(s)
      Jens R. Stellhorn
    • Organizer
      Solid State Chemistry Forum
    • Related Report
      2023 Research-status Report
  • [Presentation] RMC modelling of bismuth silicate glass with a high dielectric permittivity2023

    • Author(s)
      Jens R. Stellhorn
    • Organizer
      Glass Photonics Conference
    • Related Report
      2023 Research-status Report
  • [Presentation] Local Atomic Order in Hypermaterials and Hyperordered Structures2023

    • Author(s)
      Jens R. Stellhorn
    • Organizer
      International Conference on Complex Orders in Condensed Matter:aperiodic order, local order, electronic order, hidden order
    • Related Report
      2023 Research-status Report
    • Int'l Joint Research
  • [Presentation] RMC-8 conference2023

    • Author(s)
      Jens R. Stellhorn
    • Organizer
      RMC modelling of the high-k dielectric bismuth silicate glass
    • Related Report
      2023 Research-status Report
    • Int'l Joint Research
  • [Presentation] The Local Atomic Structure of Amorphous Organotin Sulfide Compounds with Extreme Nonlinear Optical Properties2023

    • Author(s)
      Jens R. Stellhorn
    • Organizer
      European Materials Research Society Meeting
    • Related Report
      2023 Research-status Report
    • Int'l Joint Research
  • [Presentation] Atomic Resolution Holography to Study the Local Structure in Quasicrystals2022

    • Author(s)
      Jens R. Stellhorn
    • Organizer
      European Crystallographic Meeting ECM33
    • Related Report
      2022 Research-status Report
    • Int'l Joint Research
  • [Presentation] Recent progress of Atomic Resolution Holography for icosahedral systems2022

    • Author(s)
      Jens R. Stellhorn
    • Organizer
      8th Hypermaterials Meeting
    • Related Report
      2022 Research-status Report
    • Int'l Joint Research
  • [Presentation] Local Cluster Distortions in Amorphous Organotin Sulfide Compounds and their Influence on the Non-Linear Optical Properties2022

    • Author(s)
      Jens R. Stellhorn
    • Organizer
      The 4th FRIMS International Symposium on Frontier Materials
    • Related Report
      2022 Research-status Report 2021 Research-status Report
    • Invited
  • [Presentation] Structure of amorphous Cu-Ge-Te and the implications for its functionality2022

    • Author(s)
      J. R. Stellhorn, S. Hosokawa, B. Paulus, B. D. Klee, W.-C. Pilgrim, N. Boudet, N. Blanc, H. Ikemoto, S. Kohara, and Y. Sutou
    • Organizer
      18th International Conference on Liquid and Amorphous Metals LAM-18
    • Related Report
      2022 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Low-energy EXAFS at HiSOR for determining cluster deformations in amorphous organic-inorganic hybrid tin cluster exhibiting nonlinear optical effects2022

    • Author(s)
      Jens R. Stellhorn, Shinjiro Hayakawa, Benedict Paulus, Benjamin D. Klee, Stefanie Dehnen, Wolf-Christian Pilgrim
    • Organizer
      14th International Conference on Synchrotron Radiation Instrumentation (SRI 2022)
    • Related Report
      2021 Research-status Report
    • Int'l Joint Research
  • [Presentation] Atomic resolution holography for characterizing the local structure in quasicrystals2021

    • Author(s)
      J. R. Stellhorn, S. Hosokawa, K. Kimura, K. Hayashi, N. Boudet, N. Blanc, G. Chahine, M. de Boissieu
    • Organizer
      25th Congress of the International Union of Crystallography (IUCr Congress 2021)
    • Related Report
      2021 Research-status Report
    • Int'l Joint Research
  • [Presentation] The Local Atomic Structure of Quasicrystals investigated by X-Ray Fluorescence Holography2021

    • Author(s)
      J. R. Stellhorn, S. Hosokawa, K. Kimura, K. Hayashi, N. Happo, N. Boudet, N. Blanc, N. Fujita, M. de Boissieu
    • Organizer
      Materials Research Meeting (MRM2021)
    • Related Report
      2021 Research-status Report
    • Int'l Joint Research
  • [Presentation] White-Light Generation of [(R-Sn)4S6] : Insights from XAFS characterizations2021

    • Author(s)
      Jens R. Stellhorn, Shinjiro Hayakawa, Benedict Paulus, Benjamin D. Klee, Stefanie Dehnen, Wolf-Christian Pilgrim
    • Organizer
      2021 International Chemical Congress of Pacific Basin Societies (Pacifichem)
    • Related Report
      2021 Research-status Report
    • Int'l Joint Research
  • [Presentation] Structure of amorphous Cu2GeTe3 and the implications for its functionality2021

    • Author(s)
      J. R. Stellhorn, S. Hosokawa, B. Paulus, W.-C. Pilgrim, N. Boudet, N. Blanc, H. Ikemoto, S. Kohara, Y. Sutou
    • Organizer
      The 34th Fall Meeting of the Ceramic Society of Japan
    • Related Report
      2021 Research-status Report
    • Invited
  • [Presentation] Atomic structure determination by X-ray holography2020

    • Author(s)
      Jens R. Stellhorn
    • Organizer
      第15回 物性科学領域横断研究会
    • Related Report
      2020 Research-status Report

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Published: 2020-04-28   Modified: 2024-12-25  

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