Journal
JOURNAL OF APPLIED PHYSICS
Volume 119, Issue 15, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.4946836
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Funding
- [25707031]
- [26600077]
- [15K14113]
- [15H05886]
- Grants-in-Aid for Scientific Research [15K14113, 15H05886] Funding Source: KAKEN
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We examined the crystal structure of the new thermoelectric material LaOBiS2-xSex, whose thermoelectric performance is enhanced by Se substitution, by using powder synchrotron X-ray diffraction and Rietveld refinement. The emergence of metallic conductivity and enhancement of the thermoelectric power factor of LaOBiS2-xSex can be explained with the higher in-plane chemical pressure caused by the increase of Se concentration at the in-plane Ch1 site (Ch = S, Se). High-temperature X-ray diffraction measurements for optimally substituted LaOBiSSe revealed anomalously large atomic displacement parameters (U-iso) for Bi and Ch atoms in the BiCh(2) conduction layers. The anisotropic analysis of the atomic displacement parameters (U-11 and U-33) for the in-plane Bi and Ch1 sites suggested that Bi atoms exhibit large atomic displacement along the c-axis direction above 300 K, which could be the origin of the low thermal conductivity in LaOBiSSe. The large Bi vibration along the c-axis direction could be related to in-plane rattling, which is a new strategy for attaining low thermal conductivity and phonon-glass-electron-crystal states. Published by AIP Publishing.
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