First-principles calculation of the superconducting transition temperature: Developing the method for electronic properties towards the exchange effects

2017 Fiscal Year Final Research Report

• Project/Area Number: 15K20940
• Research Category: Grant-in-Aid for Young Scientists (B)
• Allocation Type: Multi-year Fund
• Research Field: Condensed matter physics II
• Research Institution: The University of Tokyo
• Principal Investigator: AKASHI Ryosuke 東京大学, 大学院理学系研究科(理学部), 助教 (40734356)
• Project Period (FY): 2015-04-01 – 2018-03-31
• Keywords: 計算物理学 / 高温超伝導

Outline of Final Research Achievements

The resistivity of metals drops to zero when cooled down to extremely low temperature. A simulation method for the possible temperature where this superconducting phenomenon occurs (Tc) using only the crystal structure of the material will enable us efficient exploration of high-temperature superconductors. In this project, we have developed such method to calculate Tc from the first-principles. The major results are as follows: 1) Extension of the method to include the effect of ferromagnetic fluctuation on Tc 2) Elucidation of the origin of the recently discovered high-Tc superconductivity in compressed hydrogen sulfide. These results yielded a) international projects using the developed method and b) a general theory to control a specific electronic property. These outcomes are utilizable for future exploration of the superconducting materials and study on possible mechanisms for high Tc.

Free Research Field

第一原理計算・物性理論