2016 Fiscal Year Final Research Report
Theoretical guiding principle for thermoelectrics deesigning based on a new band-shape optimization strategy
| Project/Area Number |
26610101
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| Research Category |
Grant-in-Aid for Challenging Exploratory Research
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| Allocation Type | Multi-year Fund |
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| Research Field |
Condensed matter physics II
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| Research Institution | Osaka University |
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Principal Investigator |
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| Project Period (FY) |
2014-04-01 – 2017-03-31
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| Keywords | 熱電効果 / バンド形状 / 物質設計 |
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| Outline of Final Research Achievements |
(1) We performed a band structure calculation for tau-type molecular crystals, and calculated the Seebeck coefficient. We have succeeded in quantitatively reproducing the experimental results. (2) We performed a band structure calculation for a recently found thermoelectric material SnSe, and found that the ZT value reaches close to 3 when electrons are doped. (3) We investigated in general the relationship between the thermoelectric properties and the band shape. We have found that an ideal pudding mold type band can give rise to a ZT value of 4 when a reasonable value is assumed for the lattice thermal conductivity. (4) We studied the thermoelectric properties of LaOBiS2 and relateted materials, and found that some element substitution can give rise to a strong enhancement of the power factor.
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| Free Research Field |
物性理論
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