Development of simulation method on thermoelectric properties and survey of novel thermoelectric materials based on first-principles electronic-state calculation
| Project/Area Number |
26420665
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Research Field |
Physical properties of metals/Metal-base materials
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| Research Institution | Kyoto University |
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Principal Investigator |
Nakamura Koichi 京都大学, 日本－エジプト連携教育研究ユニット, 特定准教授 (20314239)
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| Research Collaborator |
ABDEL-MONEIM Ahmed
EL-ASFOURY Mohamed
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| Project Period (FY) |
2014-04-01 – 2017-03-31
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| Project Status |
Completed (Fiscal Year 2016)
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| Budget Amount *help |
¥4,810,000 (Direct Cost: ¥3,700,000、Indirect Cost: ¥1,110,000)
Fiscal Year 2016: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2015: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2014: ¥2,600,000 (Direct Cost: ¥2,000,000、Indirect Cost: ¥600,000)
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| Keywords | 熱電特性 / 第一原理計算 / シミュレーション / ナノワイヤ / ナノシート |
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| Outline of Final Research Achievements |
The following topics have been performed to give a guideline for the development of novel high-performance thermoelectric transducers: derivation of ab initio simulation procedure for the Seebeck coefficient on the basis of first-principles calculation; electronic-state calculation and simulation on thermoelectric properties in bismuth-antimony alloys; design and optimization of novel nano-structured thermoelectric device.
The simulation procedure gives the Seebeck coefficient in semiconducting materials qualitatively and quantitatively. The performance improvement in the Seebeck coefficient and power factor by dimensional reduction to nanowires can be simulated. New thermoelectric materials based on bismuth-antimony alloy have also been fabricated in conjunction with the simulation.
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Report
(4 results)
Research Products
(30 results)
