Hauptseite > Publikationsdatenbank > Atomic‐Scale Observation of Off‐Centering Rattlers in Filled Skutterudites > print

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024 7 _ |a 10.1002/aenm.202103770
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024 7 _ |a 1614-6840
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024 7 _ |a 2128/31392
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037 _ _ |a FZJ-2022-02551
041 _ _ |a English
082 _ _ |a 050
100 1 _ |a Ge, Zhen-Hua
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245 _ _ |a Atomic‐Scale Observation of Off‐Centering Rattlers in Filled Skutterudites
260 _ _ |a Weinheim
|c 2022
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520 _ _ |a As one of the most fundamental order parameters, the coordinate order of atoms is a cornerstone in determining the physical and chemical properties of materials. Off-centering shifts of atoms from their centrosymmetric positions, a phenomenon that is closely related to symmetry breaking and structural transitions in crystals, is of key importance in modifying a broad range of fundamental properties, such as ferroelectricity, antiferroelectricity, and piezoelectricity. In thermoelectric materials, which can be used to directly interconvert heat to electricity, off-centering has been proposed in, e.g., lead tellurides, halide perovskites, type I and II clathrates, and filled skutterudites, to be the physical origin of the experimentally measured exceptionally low thermal conductivity, but only indirectly supported from structural refinements and experimental/theoretical vibration mode analyses. In this work, Yb partially filled and Ce fully filled skutterudite is taken as a model system for directly measuring the off-centering shifts of filler atoms, i.e., rattlers, with picometer precision in real space, by means of atomic-resolution negative spherical aberration imaging transmission electron microscopy. This finding allows an in-depth understanding of the relationship between the off-centering and the thermoelectric performance, and the presented methodology here is also applicable to investigate the off-centering phenomena in other functional materials, e.g., ferroelectrics and solar cells.
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700 1 _ |a Li, Wen-Jie
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700 1 _ |a Feng, Jing
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700 1 _ |a Zheng, Fengshan
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700 1 _ |a Jia, Chun-Lin
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700 1 _ |a Wu, Di
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700 1 _ |a Jin, Lei
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773 _ _ |a 10.1002/aenm.202103770
|g Vol. 12, no. 15, p. 2103770 -
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|t Advanced energy materials
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856 4 _ |u https://juser.fz-juelich.de/record/908349/files/Advanced%20Energy%20Materials%20-%202022%20-%20Ge%20-%20Atomic%E2%80%90Scale%20Observation%20of%20Off%E2%80%90Centering%20Rattlers%20in%20Filled%20Skutterudites.pdf
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856 4 _ |u https://juser.fz-juelich.de/record/908349/files/LJIN_Atomic-scale%20observation.pdf
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