2022 Fiscal Year Final Research Report
Study of phonon transport mechanism of phosphide thermoelectric materials with Ag-P cluster structure
| Project/Area Number |
20K15021
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| Research Category |
Grant-in-Aid for Early-Career Scientists
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| Allocation Type | Multi-year Fund |
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| Review Section |
Basic Section 26020:Inorganic materials and properties-related
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| Research Institution | Japan Advanced Institute of Science and Technology |
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Principal Investigator |
Miyata Masanobu 北陸先端科学技術大学院大学, 先端科学技術研究科, 講師 (60815736)
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| Project Period (FY) |
2020-04-01 – 2023-03-31
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| Keywords | フォノン輸送 / 非調和性 / リン化物 / 実験 / 第一原理計算 |
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| Outline of Final Research Achievements |
In this study, the phonon transport mechanism of Ag-P compounds such as Ag3P6Si3Sn2 was clarified in detail by making full use of experimental and theoretical calculations in a concerted manner, aiming to establish a material design guideline for low lattice thermal conductivity.
The Ag-P compounds Ag3P6Si3Sn2, Ag3SnP7, and AgP2 all exhibit extremely low lattice thermal conductivity at room temperature due to strong phonon-phonon scattering caused by the large phonon anharmonicity of the Ag atoms in the crystal, as revealed both experimentally and theoretically.
The results of this study have successfully proposed a new candidate material group of Ag-P compounds from the viewpoint of not only thermoelectric conversion but also phonon engineering.
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| Free Research Field |
熱電変換
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| Academic Significance and Societal Importance of the Research Achievements |
本研究成果は，低い格子熱伝導率を示すAg-P化物のフォノン輸送メカニズムを，実験及び高次の非調和フォノンの寄与を考慮した理論計算の協奏的アプローチにより明らかにしたものであり，Ag-P化物以外にも適用範囲を広がられる可能性を秘めた学術的意義の高い成果である．
また，熱電変換材料やフォノンエンジニアリングの観点においても，重要な成果であり，昨今の社会情勢において重要な役割を担う再生可能エネルギーの分野の発展の一助につながり，社会的にも大きな意義を持つ．
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