Theoretical calculations on the effects of local high electric fields at interface atomic/molecular layers
Project/Area Number |
15H03561
|
Research Category |
Grant-in-Aid for Scientific Research (B)
|
Allocation Type | Single-year Grants |
Section | 一般 |
Research Field |
Thin film/Surface and interfacial physical properties
|
Research Institution | The University of Tokyo |
Principal Investigator |
WATANABE Satoshi 東京大学, 大学院工学系研究科(工学部), 教授 (00292772)
|
Co-Investigator(Kenkyū-buntansha) |
南谷 英美 東京大学, 大学院工学系研究科(工学部), 講師 (00457003)
安藤 康伸 国立研究開発法人産業技術総合研究所, 材料・化学領域, 主任研究員 (00715039)
|
Research Collaborator |
KASAMATSU Shusuke
TOTSUKA Hideomi
|
Project Period (FY) |
2015-04-01 – 2019-03-31
|
Project Status |
Completed (Fiscal Year 2018)
|
Budget Amount *help |
¥16,510,000 (Direct Cost: ¥12,700,000、Indirect Cost: ¥3,810,000)
Fiscal Year 2018: ¥3,640,000 (Direct Cost: ¥2,800,000、Indirect Cost: ¥840,000)
Fiscal Year 2017: ¥6,110,000 (Direct Cost: ¥4,700,000、Indirect Cost: ¥1,410,000)
Fiscal Year 2016: ¥4,030,000 (Direct Cost: ¥3,100,000、Indirect Cost: ¥930,000)
Fiscal Year 2015: ¥2,730,000 (Direct Cost: ¥2,100,000、Indirect Cost: ¥630,000)
|
Keywords | 電界効果 / 界面原子・分子層 / ナノスケール物性 / 電子状態計算 / 密度汎関数法 / 表面・界面物性 / 計算物理 / ナノ材料 |
Outline of Final Research Achievements |
Changes of behaviors of electrons and atoms due to applied electric fields in the interface regions within the thickness of several atomic/molecular layers and atomic layers like bilayer graphene have been examined using several reliable computational methods. Various findings have been obtained such as the followings: charge density change in an organic molecular layer due to electric fields may be significant only in a part of the molecule; negative dielectric constant may emerge in a metal-ferroelectrics-paraelectrics-metal heterostructure; the region where significant ion distribution change due to electric fields is seen is within the thickness of nanometer scale; how the energy gap changes with electric fields.
|
Academic Significance and Societal Importance of the Research Achievements |
コンピュータ中の不揮発メモリ等の情報素子、二次電池等のエネルギー変換素子等、多くの素子において電圧の印加が動作の鍵を握っている。これは、微視的には電圧印加で発生する電場によって異種材料界面等のナノメートルスケールの領域での原子や電子の振舞いがどのように変化するかという問題に帰着する。この点を明らかにするのは従来難しかった。本研究では信頼性の高い計算法を駆使してこの問題に取り組み、金属基板上の有機分子、二層グラフェン、金属-誘電体-金属積層構造等における原子や電子の振舞いの電場による変化について様々な新たな知見を得ることができた。この点で学術的・社会的意義が大きい。
|
Report
(5 results)
Research Products
(83 results)
-
-
-
-
-
-
-
-
[Journal Article] Visualizing Type-II Weyl Points in Tungsten Ditelluride by Quasiparticle Interference2017
Author(s)
C.-L. Lin, R. Arafune, R.-Y. Liu, M. Yoshimura, B. Feng, K. Kawahara, Z. Ni, E. Minamitani, S. Watanabe, Y. Shi, M. Kawai, T.-C. Chiang, I. Matsuda, N. Takagi
-
Journal Title
Acs nano
Volume: 11
Issue: 11
Pages: 11459-11465
DOI
Related Report
Peer Reviewed / Int'l Joint Research
-
-
[Journal Article] Surface structure of novel semimetal WTe22017
Author(s)
K. Kawahara, Z. Ni, R. Arafune, T. Shirasawa, C.-L. Lin, E. Minamitani, S. Watanabe, M. Kawai, N. Takagi
-
Journal Title
Applied Physics Express
Volume: 10
Issue: 4
Pages: 0457021-4
DOI
NAID
Related Report
Peer Reviewed / Acknowledgement Compliant
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
[Presentation] 二層グラフェンの電子物性の理論計算2017
Author(s)
森雄太郎, 島田直治, 南谷英美, 安藤康伸, 笠松秀輔, 渡邉聡
Organizer
日本物理学会 第72回年次大会
Place of Presentation
大阪大学豊中キャンパス(大阪府豊中市)
Year and Date
2017-03-17
Related Report
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-