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Theoretical investigations of electronic, thermodynamic and thermoelectric properties of filled skutterudites ThFe4P12 and CeFe4P12 using DFT calculations
The structural, mechanical, electrical, thermodynamic and thermoelectric properties of CeFe4P12 and ThFe4- P12employing first -principles calculations together with semi -classical Boltzmann Transport equations are investigated. It has been firmly proved that these materials fall within the category
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