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| Hauptseite > Publikationsdatenbank > Atomic‐Scale Observation of Off‐Centering Rattlers in Filled Skutterudites > print |
| Hauptseite > Publikationsdatenbank > Atomic‐Scale Observation of Off‐Centering Rattlers in Filled Skutterudites > print |
| 001 | 906453 | ||
| 005 | 20230123110602.0 | ||
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| 245 | _ | _ | |a Atomic‐Scale Observation of Off‐Centering Rattlers in Filled Skutterudites |
| 260 | _ | _ | |a Weinheim |c 2022 |b Wiley-VCH |
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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 |0 P:(DE-Juel1)157679 |b 1 |
| 700 | 1 | _ | |a Feng, Jing |0 P:(DE-HGF)0 |b 2 |
| 700 | 1 | _ | |a Zheng, Fengshan |0 P:(DE-Juel1)165965 |b 3 |e Corresponding author |
| 700 | 1 | _ | |a Jia, Chun-Lin |0 P:(DE-Juel1)130736 |b 4 |e Corresponding author |
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| 700 | 1 | _ | |a Jin, Lei |0 P:(DE-Juel1)145711 |b 6 |e Corresponding author |
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| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/906453/files/LJIN_Atomic-scale%20observation.pdf |y OpenAccess |
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