2004 Fiscal Year Final Research Report Summary
Evaluation of superconducting transition temperatures by change and response characteristics of the electronic wave function
| Project/Area Number |
15560607
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Structural/Functional materials
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| Research Institution | Osaka University |
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Principal Investigator |
TAKAHARA Wataru Osaka University, Graduate School of Engineering, Assistant, 大学院工学研究科, 助手 (10252602)
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| Co-Investigator(Kenkyū-buntansha) |
MINAMI Fumiyoshi Osaka University, Graduate School of Engineering, Professor, 大学院工学研究科, 教授 (60135663)
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| Project Period (FY) |
2003 – 2004
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| Keywords | Superconductivity / Transition temperature / Molecular orbital / DV-Xα method / B1-type compound / Nitride / Atomic displacement / Bond overlap population |
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| Research Abstract |
Superconducting transition temperatures of B1 transition metal compounds (TiC, TiN, TiO, VC, VN, VO, ZrC, ZrN, ZrB, NbC, NbN and NbO) are investigated by the DV-Xα cluster method. The transition temperature is found to correlate with the ratio of bond overlap population in the cluster models where the center site atom is displaced. The molecular orbital response itself appears to be strongly related to the occurrence of superconductivity. Electron-phonon and/or magnetic interaction therefore appear not to be primary factors, and the orbital response itself would be the universal factor governing superconductivity. Assuming that superconductivity is a chemical reaction phenomenon in a solid, it would be useful to focus on the relation between superconducting properties and catalytic properties in the search for new superconductors.
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