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- W3157357455 abstract "Abstract The proximity to structural phase transitions in IV-VI thermoelectric materials is one of the main reasons for their large phonon anharmonicity and intrinsically low lattice thermal conductivity κ . However, the κ of GeTe increases at the ferroelectric phase transition near 700 K. Using first-principles calculations with the temperature dependent effective potential method, we show that this rise in κ is the consequence of negative thermal expansion in the rhombohedral phase and increase in the phonon lifetimes in the high-symmetry phase. Strong anharmonicity near the phase transition induces non-Lorentzian shapes of the phonon power spectra. To account for these effects, we implement a method of calculating κ based on the Green-Kubo approach and find that the Boltzmann transport equation underestimates κ near the phase transition. Our findings elucidate the influence of structural phase transitions on κ and provide guidance for design of better thermoelectric materials." @default.
- W3157357455 created "2021-05-10" @default.
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- W3157357455 date "2021-04-29" @default.
- W3157357455 modified "2023-10-14" @default.
- W3157357455 title "The origin of the lattice thermal conductivity enhancement at the ferroelectric phase transition in GeTe" @default.
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- W3157357455 cites W1973914966 @default.
- W3157357455 cites W1974380012 @default.
- W3157357455 cites W1979758019 @default.
- W3157357455 cites W1981368803 @default.
- W3157357455 cites W1986081941 @default.
- W3157357455 cites W1989060947 @default.
- W3157357455 cites W1992182541 @default.
- W3157357455 cites W1997080552 @default.
- W3157357455 cites W2007031612 @default.
- W3157357455 cites W2012907060 @default.
- W3157357455 cites W2018763953 @default.
- W3157357455 cites W2019465613 @default.
- W3157357455 cites W2029149580 @default.
- W3157357455 cites W2029413789 @default.
- W3157357455 cites W2029741576 @default.
- W3157357455 cites W2030885684 @default.
- W3157357455 cites W2031874359 @default.
- W3157357455 cites W2037449666 @default.
- W3157357455 cites W2040344085 @default.
- W3157357455 cites W2050226472 @default.
- W3157357455 cites W2051923595 @default.
- W3157357455 cites W2061661421 @default.
- W3157357455 cites W2067297550 @default.
- W3157357455 cites W2072054583 @default.
- W3157357455 cites W2073046519 @default.
- W3157357455 cites W2073597861 @default.
- W3157357455 cites W2076218685 @default.
- W3157357455 cites W2083372231 @default.
- W3157357455 cites W2083415705 @default.
- W3157357455 cites W2092843838 @default.
- W3157357455 cites W2093349758 @default.
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- W3157357455 cites W2112425685 @default.
- W3157357455 cites W2116466215 @default.
- W3157357455 cites W2137813091 @default.
- W3157357455 cites W2159069751 @default.
- W3157357455 cites W2175115706 @default.
- W3157357455 cites W2175979431 @default.
- W3157357455 cites W2176688416 @default.
- W3157357455 cites W2240279023 @default.
- W3157357455 cites W2279725680 @default.
- W3157357455 cites W2282595833 @default.
- W3157357455 cites W2283315623 @default.
- W3157357455 cites W2299765168 @default.
- W3157357455 cites W2329965099 @default.
- W3157357455 cites W2330573990 @default.
- W3157357455 cites W2341951168 @default.
- W3157357455 cites W2346434887 @default.
- W3157357455 cites W2498739229 @default.
- W3157357455 cites W2511197735 @default.
- W3157357455 cites W2515112055 @default.
- W3157357455 cites W2582108938 @default.
- W3157357455 cites W2604481069 @default.
- W3157357455 cites W2606250118 @default.
- W3157357455 cites W2606873714 @default.
- W3157357455 cites W2751084633 @default.
- W3157357455 cites W2755765949 @default.
- W3157357455 cites W2757657369 @default.
- W3157357455 cites W2787367047 @default.
- W3157357455 cites W2795146991 @default.
- W3157357455 cites W2797770276 @default.
- W3157357455 cites W2799474729 @default.
- W3157357455 cites W2803116553 @default.
- W3157357455 cites W2883336744 @default.
- W3157357455 cites W2887845268 @default.
- W3157357455 cites W2890410085 @default.
- W3157357455 cites W2937310644 @default.
- W3157357455 cites W2945632312 @default.
- W3157357455 cites W2948192073 @default.
- W3157357455 cites W2963008537 @default.
- W3157357455 cites W2973229027 @default.
- W3157357455 cites W2996578947 @default.
- W3157357455 cites W2998713159 @default.
- W3157357455 cites W3024088745 @default.
- W3157357455 cites W3100194639 @default.
- W3157357455 cites W3102912728 @default.
- W3157357455 cites W4210975005 @default.
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- W3157357455 doi "https://doi.org/10.1038/s41524-021-00523-7" @default.
- W3157357455 hasPublicationYear "2021" @default.
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