Development of first-principlesEliashberg code and application to real materials
| Project/Area Number |
16K05452
|
|---|
| Research Category |
Grant-in-Aid for Scientific Research (C)
|
| Allocation Type | Multi-year Fund |
|---|
| Section | 一般 |
|---|
| Research Field |
Condensed matter physics II
|
|---|
| Research Institution | Kyushu Institute of Technology |
|---|
Principal Investigator |
Nakamura Kazuma 九州工業大学, 大学院工学研究院, 准教授 (60525236)
|
|---|
| Project Period (FY) |
2016-04-01 – 2020-03-31
|
| Project Status |
Completed (Fiscal Year 2019)
|
| Budget Amount *help |
¥4,550,000 (Direct Cost: ¥3,500,000、Indirect Cost: ¥1,050,000)
Fiscal Year 2018: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2017: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Fiscal Year 2016: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
|
|---|
| Keywords | 第一原理計算 / 超伝導 / フォノン計算 / スピン軌道相互作用 / スピン軌道相作用 / ソフトウェア公開 / 実験との共同研究 / 電子間相互作用 / 電子格子相互作用 / GW / 熱力学状態図 / 金属水素化物 / 多体摂動計算 / ワニエ関数 / 誘電関数 / GW計算 / 新物質探索しミュレーション / 汎用ソフトウェア開発 / エリアシュベルグ計算 / 超伝導転移温度 / パラマグノン揺らぎ / フォノン揺らぎ |
|---|
| Outline of Final Research Achievements |
We developed a program that numerically solves the Macmillan equation for the purpose of evaluating the superconducting transition temperature of superconducting materials from first principles. Using this code, we calculated the transition temperature for several real materials. Also, in collaboration with experimental groups, we investigated representative materials such as Al, Nb, cupurate, and NdNiO2. The phonon-calculation program developed in the program development was also used to study the phonon properties of spin-orbit interaction system Ca5Ir3O12 and other iridium oxides. Our developed program was released as an open-software RESPACK at 2017.
|
| Academic Significance and Societal Importance of the Research Achievements |
本申請課題では，物質の超伝導機構の理解を得るために，第一原理計算プログラムの開発に取り組み，また実験グループとの協力のもと実証研究を進めた。開発プログラムは第一原理電子構造計算汎用ソフトウェアRESPACKとして公開された (2017年10月)。2020年3月までにダウンロード数1750である。2018年には東大物性研が公募するソフトウェア開発・高度化プロジェクトの対象ソフトウェアに採択され，高精度整備のもと，現在，東大物性研スーパーコンピュータの公式アプリケーションとして多くのユーザに利用されている。
|
Report
(5 results)
Research Products
(21 results)
-
-
-
-
-
-
-
[Journal Article] Hydrostatic pressure effects on superconducting transition of nanostructured niobium highly strained by high-pressure torsion2019
Author(s)
M. Mito, Y. Kitamura, T. Tajiri, K. Nakamura, R. Shiraishi, K. Ogata, H. Deguchi, T. Yamaguchi, N. Takeshita, T. Nishizaki, K. Edalati, Z. Horita
-
Journal Title
Journal of Applied Physics
Volume: 125
Issue: 12
Pages: 125901-125901
DOI
NAID
Related Report
Peer Reviewed / Open Access
-
-
[Journal Article] Uniaxial strain effects on the superconducting transition in Re-doped Hg-1223 cuprate superconductors2017
Author(s)
Masaki Mito, Kazuma Ogata, Hiroki Goto, Kazuki Tsuruta, Kazuma Nakamura, Hiroyuki Deguchi, Tomoya Horide, Kaname Matsumoto, Takayuki Tajiri, Hiroshi Hara, Toshinori Ozaki, Hiroyuki Takeya, and Yoshihiko Takano
-
Journal Title
Phys. Rev. B
Volume: 95
Issue: 6
Pages: 64503-64503
DOI
Related Report
Peer Reviewed / Acknowledgement Compliant
-
[Journal Article] Large enhancement of superconducting transition temperature in single-element superconducting rhenium by shear strain2016
Author(s)
M. Mito, H. Matsui, K. Tsuruta, T. Yamaguchi, K. Nakamura, H. Deguchi, N. Shirakawa, H. Adachi, T. Yamasaki, H. Iwaoka, Y. Ikoma, and Z. Horita
-
Journal Title
Scientific Reports
Volume: 5
Issue: 1
Pages: 36337-36337
DOI
Related Report
Peer Reviewed / Open Access / Acknowledgement Compliant
-
-
-
-
-
-
-
-
-
-
-
