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• W4229448571 endingPage "101035" @default.
• W4229448571 startingPage "101035" @default.
• W4229448571 abstract "Heusler alloys with six valence electrons per atom on average are Slater-Pauling semiconductors. The half-Heusler semiconductor exhibits excellent thermoelectric properties due to its specific electronic band structure. In this work, we report on the design and discovery of HfRu1+xSb-based semiconductors using the Slater-Pauling rule. According to the Slater-Pauling rule, the composition HfRu1.5Sb with 21 valence electrons is a stable semiconductor, agreeing well with our theoretical calculation. Experiments reveal that the HfRu1.6Sb sample is nearly an intrinsic semiconductor, which deviates slightly from the Slater-Pauling rule and theoretical calculation. Meanwhile, both p-type (x < 0.6) and n-type (x > 0.6) conductions can be realized in the HfRu1+xSb samples by adjusting the Ru content, and the thermoelectric properties of the HfRu1+xSb samples can be further improved by isoelectronic alloying on the Hf site with Ti. The dimensionless thermoelectric figure of merit zT of p-type HfRu1.4Sb semiconductor is ∼0.37 at 973 K, and the Ti0.9Hf0.1Ru1.4Sb sample reaches a zT value about 0.50 at 973 K, achieving an increase of 30%. Our work shows that more vacancy-filled Heusler semiconductors with tunable and promising thermoelectric properties could be designed based on the Slater-Pauling rule." @default.
• W4229448571 created "2022-05-11" @default.
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• W4229448571 date "2022-07-01" @default.
• W4229448571 modified "2023-10-17" @default.
• W4229448571 title "Designing vacancy-filled Heusler thermoelectric semiconductors by the Slater-Pauling rule" @default.
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• W4229448571 doi "https://doi.org/10.1016/j.mtener.2022.101035" @default.
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