2019 Fiscal Year Research-status Report
原子レベルシミュレーションによる新奇六方晶機能製材料の設計
| Project/Area Number |
19K05246
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| Research Institution | Tokyo Institute of Technology |
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Principal Investigator |
Das Hena 東京工業大学, 科学技術創成研究院, 特任准教授 (60836170)
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| Project Period (FY) |
2019-04-01 – 2022-03-31
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| Keywords | Materials physics / Magnetic semiconductors / Frustrated magnets / Magnetoelectricity / Ferroelectricity / Hexagonal complex oxides |
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| Outline of Annual Research Achievements |
With the main objective to design new hexagonal rare-earth (R) transition metal (TM) based RM2O4 complex oxides exhibiting multifunctional phenomena, in the year 2019, we conducted the following research works,
1. We determined the Fe+2/Fe+3 charge ordering in the bulk LuFe2O4 and its superlattices by employing calculated magnetic circular dichroism spectra. The corresponding paper is under review with Nature Communications.
2. We systematically studied the cation ordering and its microscopic origin in the Lu(MM')O4 systems as a function of the d-level occupancy of TM (M,M'), using atomistic model simulations. The corresponding manuscript is under preparation.
3. We have initiated an investigation into the electronic and structural properties of 4d TM, such as Mo and Ru, doped LuFe2O4.
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| Current Status of Research Progress |
Current Status of Research Progress
2: Research has progressed on the whole more than it was originally planned.
Reason
Considering the various complexity involved in this project, the project is progressing as we expected.
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| Strategy for Future Research Activity |
Next, in the year 2020 and ahead, we aim to conduct our research in the following directions,
(1) Develop a magnetic model and hence conduct finite temperature Monte Carlo simulations to understand the magnetic properties of Lu(MM')O4 systems with the increase of d-level occupancy of M and M' transition metal ions.
(2) Unravel the magnetic behavior of 4d transition metal doped LuFe2O4 in the limit of strong magnetic anisotropy and DM couplings based on a spin model. If such systems exhibit ferromagnetic behavior, they will be potential candidates to study spin transport phenomena, such as thermal Hall effect.
(3) Investigate the relaxor ferroelectric behavior in LuFeCoO4 through a comparative analysis of its properties with LuFe2O4 and other related systems.
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| Causes of Carryover |
We carry forward a portion of the fund to be used next fiscal year due to the following reasons, (1) In view of the outbreak of the Corona virus pandemic, Dr. Hena Das cancelled her business trip to USA, (2) We planned to invite international students to visit our group and conduct research. However, the students are available to visit our group in 2020, we therefore need fund to support the student's expenditure.
Travel cost : 500000 JPY, Personal cost: 567131 JPY
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[Journal Article] Polar－Nonpolar Phase Transition Accompanied by Negative Thermal Expansion in Perovskite-Type Bi1－xPbxNiO32019
Author(s)
Yuki Sakai, Takumi Nishikubo, Takahiro Ogata, Hayato Ishizaki, Takashi Imai, Masaichiro Mizumaki, Takashi Mizokawa, Akihiko Machida, Tetsu Watanuki, Keisuke Yokoyama, Yoichi Okimoto, Shin-ya Koshihara, Hena Das and Masaki Azuma
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Journal Title
Chemistry of Materials
Volume: 31
Pages: 4748-4758
DOI
Int'l Joint Research
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[Presentation] 新規Li イオン伝導体Li4O(Br,F)2 の合成及び構造解析2019
Author(s)
若崎翔吾,重松圭,山本隆文,Hena Das,東正樹,Guowei Zhao,鈴木耕太,菅野了次,Randy Jalem,館山佳尚
Organizer
日本セラミックス協会2020年年会
Int'l Joint Research
