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- W4225671672 startingPage "114796" @default.
- W4225671672 abstract "In this work, we have explored structural, electronic, and thermoelectric properties of novel PdVGa half Heusler compound . PdVGa is chemically, mechanically, dynamically stable and a direct bandgap semiconductor with a bandgap of 1.012 eV. At 300 K, the maximum value of Seebeck coefficient , electrical conductivity and lattice thermal conductivity are 763 μV/K, 28.61 × 10 4 S/m and 4.60 W/mK respectively. The computed value of ZT is 0.048 at 700 K. This compound has been designed as a thermoelectric material for the first time, and it may be useful in thermoelectric material experimental research. • We have designed a new PdVGa half Heusler compound. • PdVGa is chemically, mechanically and dynamically stable. • This material is a direct bandgap semiconductor with a bandgap of 1.012 eV. • At 300 K, the maximum value of Seebeck coefficient and electrical conductivity are 763 μV/K and 28.61 × 10 4 S/m. • The value of lattice thermal conductivity is 4.60 W/mK at room temperature. • The computed value of ZT is 0.048 at 700 K." @default.
- W4225671672 created "2022-05-05" @default.
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- W4225671672 date "2022-08-01" @default.
- W4225671672 modified "2023-10-16" @default.
- W4225671672 title "Pursuit of stability, electronic and thermoelectric properties of novel PdVGa half heusler compound" @default.
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- W4225671672 doi "https://doi.org/10.1016/j.ssc.2022.114796" @default.
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