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• W2804075178 endingPage "847" @default.
• W2804075178 startingPage "847" @default.
• W2804075178 abstract "Half-Heusler (HH) compounds, with a valence electron count of 8 or 18, have gained popularity as promising high-temperature thermoelectric (TE) materials due to their excellent electrical properties, robust mechanical capabilities, and good high-temperature thermal stability. With the help of first-principles calculations, great progress has been made in half-Heusler thermoelectric materials. In this review, we summarize some representative theoretical work on band structures and transport properties of HH compounds. We introduce how basic band-structure calculations are used to investigate the atomic disorder in n-type MNiSb (M = Ti, Zr, Hf) compounds and guide the band engineering to enhance TE performance in p-type FeRSb (R = V, Nb) based systems. The calculations on electrical transport properties, especially the scattering time, and lattice thermal conductivities are also demonstrated. The outlook for future research directions of first-principles calculations on HH TE materials is also discussed." @default.
• W2804075178 created "2018-06-01" @default.
• W2804075178 creator A5009916557 @default.
• W2804075178 creator A5038160156 @default.
• W2804075178 creator A5086146868 @default.
• W2804075178 date "2018-05-19" @default.
• W2804075178 modified "2023-10-06" @default.
• W2804075178 title "Band Structures and Transport Properties of High-Performance Half-Heusler Thermoelectric Materials by First Principles" @default.
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• W2804075178 doi "https://doi.org/10.3390/ma11050847" @default.
• W2804075178 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/5978224" @default.
• W2804075178 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/29783759" @default.
• W2804075178 hasPublicationYear "2018" @default.
• W2804075178 type Work @default.

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