Matches in SemOpenAlex for { <https://semopenalex.org/work/W4385850900> ?p ?o ?g. }
- W4385850900 abstract "Abstract Comprehension of chemical bonding and its intertwined relation with charge carriers and heat propagation through a crystal lattice is imperative to design compounds for thermoelectric energy conversion. Here, we report the synthesis of large single crystal of new p ‐type cubic AgSnSbTe 3 which shows an innately ultra‐low lattice thermal conductivity (κ lat ) of 0.47–0.27 Wm −1 K −1 and a high electrical conductivity (1238 – 800 S cm −1 ) in the temperature range 294–723 K. We investigated the origin of the low κ lat by analysing the nature of the chemical bonding and its crystal structure. The interaction between Sn(5 s )/Ag(4 d ) and Te(5 p ) orbitals was found to generate antibonding states just below the Fermi level in the electronic band structure, resulting in a softening of the lattice in AgSnSbTe 3 . Furthermore, the compound exhibits metavalent bonding which provides highly polarizable bonds with a strong lattice anharmonicity while maintaining the superior electrical conductivity. The electronic band structure exhibits nearly degenerate valence‐band maxima that help to achieve a high Seebeck coefficient throughout the measured temperature range and, as a result, the maximum thermoelectric figure of merit reaches to ≈1.2 at 661 K in pristine single crystal of AgSnSbTe 3 ." @default.
- W4385850900 created "2023-08-17" @default.
- W4385850900 creator A5000007903 @default.
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- W4385850900 creator A5046715031 @default.
- W4385850900 creator A5055684601 @default.
- W4385850900 creator A5084745632 @default.
- W4385850900 date "2023-08-23" @default.
- W4385850900 modified "2023-10-04" @default.
- W4385850900 title "Chemical Bonding Tuned Lattice Anharmonicity Leads to a High Thermoelectric Performance in Cubic AgSnSbTe<sub>3</sub>" @default.
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