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- W2397339738 abstract "We present the thermoelectric properties of Antimony Selenide (Sb 2 Se 3 ) obtained using first principles calculations. We investigated the electronic band structure using the FP-LAPW method within the sphere of the density functional theory. Thermoelectric properties were calculated using BoltzTrap code using the constant relaxation time (<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML id=M1><mml:mrow><mml:mi>τ</mml:mi></mml:mrow></mml:math>) approximation at three different temperatures 300 K, 600 K, and 800 K. Seebeck coefficient (<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML id=M2><mml:mrow><mml:mi>S</mml:mi></mml:mrow></mml:math>) was found to decrease with increasing temperature, electrical conductivity (<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML id=M3><mml:mi>σ</mml:mi><mml:mo>/</mml:mo><mml:mi>τ</mml:mi></mml:math>) was almost constant in the entire temperature range, and electronic thermal conductivity (<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML id=M4><mml:mi>κ</mml:mi><mml:mo>/</mml:mo><mml:mi>τ</mml:mi></mml:math>) increased with increasing temperature. With increase in temperature <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML id=M5><mml:mrow><mml:mi>S</mml:mi></mml:mrow></mml:math> decreased from 1870 μ V/K (at 300 K) to 719 μ V/K (at 800 K), electronic thermal conductivity increased from 1.56 × 10 15 W/m K s (at 300 K) to 3.92 × 10 15 W/m K s (at 800 K), and electrical conductivity decreased from 22 × 10 19 /Ω m s (at 300 K) to 20 × 10 19 /Ω m s (at 800 K). The thermoelectric properties were also calculated for different hole concentrations and the optimum concentration for a good thermoelectric performance over a large range of temperatures (from 300 K to 1000 K) was found for hole concentration around 10 19 cm −3 ." @default.
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- W2397339738 date "2016-05-25" @default.
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- W2397339738 title "DFT Study on the Carrier Concentration and Temperature-Dependent Thermoelectric Properties of Antimony Selenide" @default.
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- W2397339738 doi "https://doi.org/10.1155/2016/7296847" @default.
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