Develpment of measurement based materials science by simultaneous analysis of elastic & inelastic scattering

• Project/Area Number: 16K13660
• Research Category: Grant-in-Aid for Challenging Exploratory Research
• Allocation Type: Multi-year Fund
• Research Field: Applied materials
• Research Institution: University of Tsukuba
• Principal Investigator: NISHIBORI Eiji 筑波大学, 数理物質系, 教授 (10293672)
• Project Period (FY): 2016-04-01 – 2018-03-31
• Project Status: Completed (Fiscal Year 2017)
• Budget Amount: ¥3,510,000 (Direct Cost: ¥2,700,000、Indirect Cost: ¥810,000); Fiscal Year 2017: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000); Fiscal Year 2016: ¥2,600,000 (Direct Cost: ¥2,000,000、Indirect Cost: ¥600,000)
• Keywords: 放射光X線回折 / 弾性散乱 / 非弾性散乱 / 電子密度解析 / フォノン分散 / 熱散漫散乱 / Bragg反射 / コンプトン散乱 / 放射光散乱 / 高エネルギーエックス線 / 結晶構造解析 / 散漫散乱改s系 / コンプトン散乱解析 / 手法開発 / 散漫散乱解析 / 新機能性材料

Outline of Final Research Achievements

In this study, we have developed an analytical method to determine both dynamic and static structure from powder diffraction profiles of simple structure materials such as diamond and pure metals. Bragg intensities, thermal diffuse scattering, and Compton scattering, etc were used for the analysis.
We successfully measured the temperature dependence of thermal diffuse scattering due to phonon for aluminum which shows relatively large amount of diffuse scattering. We also observed very small amounts of electron accumulation in charge density from Bragg intensities. We succeeded to detect weak modulation of charge density by the present developed method.

Research Products

• [Int'l Joint Research] オーフス大学/材料結晶学センター(デンマーク)
• [Journal Article] β-IminoBODIPY oligomers: facilely accessible π-conjugated luminescent BODIPY arrays (2017)
  • Author(s): Tsuchiya Mizuho、Sakamoto Ryota、Shimada Masaki、Yamanoi Yoshinori、Hattori Yohei、Sugimoto Kunihisa、Nishibori Eiji、Nishihara Hiroshi
  • Journal Title: Chemical Communications Volume: 53 Issue: 54 Pages: 7509-7512
  • DOI: 10.1039/c7cc03279j
  • Peer Reviewed
• [Journal Article] Mechano-, thermo-, solvato-, and vapochromism in bis(acetato-κ1O)[4′-(4-(diphenylamino)phenyl)](2,2′:6′,2′′-terpyridine-κ3N,N′,N′′)zinc(ii) and its polymer (2017)
  • Author(s): Tsukamoto Takamasa、Aoki Risa、Sakamoto Ryota、Toyoda Ryojun、Shimada Masaki、Hattori Yohei、Kitagawa Yasutaka、Nishibori Eiji、Nakano Masayoshi、Nishihara Hiroshi
  • Journal Title: Chemical Communications Volume: 53 Issue: 70 Pages: 9805-9808
  • DOI: 10.1039/c7cc05022d
  • Peer Reviewed
• [Journal Article] 2.Spatial distribution of electrons near the Fermi level in the metallic LaB6 through accurate X-ray charge density study. (2017)
  • Author(s): Hidetaka Kasai & Eiji Nishibori
  • Journal Title: Scientific Reports Volume: 7 Issue: 1 Pages: 41375-41375
  • DOI: 10.1038/srep41375
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] Antiferromagnetic Ordering in the Single-component Molecular Conductor, [Pd(tmdt)2] (2016)
  • Author(s): Ogura Satomi, Idobata Yuki, Zhou, Biao, Kobayashi Akiko, Takagi Rina, Miyagawa Kazuya, Kanoda Kazushi, Kasai Hidetaka, Nishibori Eiji, Satoko Chikatoshi, Delley, Bernard
  • Journal Title: Inorganic Chemistry Volume: 55 Issue: 15 Pages: 7709-7716
  • DOI: 10.1021/acs.inorgchem.6b01166
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] 5.Direct observation of spin-coating process in PS-b-P2VP thin films. (2016)
  • Author(s): Hiroki Ogawa*, Mikihito Takenaka, Tsukasa Miyazaki, Keisuke Shimokita, Akihiko Fujiwara, Eiji Nishibori, Masaki Takata,
  • Journal Title: Macromolecules Volume: 49 Issue: 9 Pages: 3471-3477
  • DOI: 10.1021/acs.macromol.6b00049
  • Peer Reviewed
• [Presentation] Ultra-high reciprocal resolution X-ray diffraction of Al and Cu (2017)
  • Author(s): Tomoaki Sasaki, Hidetaka Kasai, Eiji Nishibori
  • Organizer: 24th Congress and General Assembly of the International Union of Crystallography
  • Int'l Joint Research
• [Presentation] Accurate structures of diamond under high- pressure and temperature. (2017)
  • Author(s): Yuka Deguchi, Eiji Nishibori, Bo Iversen,
  • Organizer: 24th Congress and General Assembly of the International Union of Crystallography
  • Int'l Joint Research
• [Presentation] 超高分解能放射光粉末法によるアルミニウムの結合電荷密度 (2017)
  • Author(s): 佐々木友彰・笠井秀隆・西堀英治
  • Organizer: 平成29年度日本結晶学会年会
• [Presentation] 量子結晶学によるダイヤモンドの精密構造決定 (2017)
  • Author(s): 出口裕佳・西堀英治・Bo Iversen
  • Organizer: 平成29年度日本結晶学会年会
• [Presentation] Charge density studies of metallic and semiconductor hexaborides (2017)
  • Author(s): Eiji Nishibori, Hidetaka Kasai
  • Organizer: AnalyiX-2017
  • Place of Presentation: Hilton Fukuoka Sea Hawk, Fukuoka,Fukuoka
  • Int'l Joint Research
• [Presentation] X-ray Charge density study of positive electrodes for secondary battery. (2016)
  • Author(s): Eiji Nishibori, Hidetaka Kasai, Takayuki Shibata, Wataru Kobayashi, and Yutaka Moritomo
  • Organizer: AsCA2016
  • Place of Presentation: Hanoi University of Science & Technology, Hanoi, Vetnum
  • Year and Date: 2016-12-04
  • Int'l Joint Research