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- W2046064489 abstract "Abstract We have studied the elastic, electronic and magnetic properties along with the thermoelectric properties of an undoped filled skutterudite EuFe 4 Sb 12 using full-potential linearized augmented plane wave (FP-LAPW) method. The LSDA, LSDA + U and a new exchange-correlation functional called modified Becke Johnson (mBJ) potential based on density functional theory (DFT) were used for studying material properties. The Eu-f and Fe-d are strongly correlated elements thus the inclusion of Coulomb repulsion ( U ) expected to give an exact ground state properties. The exchange-splitting of Eu-4f states were analyzed to explain the ferromagnetic behavior of EuFe 4 Sb 12 (half-metallic behavior). The numerical values of isotropic elastic parameters and related properties are estimated in the framework of the Voigt–Reuss–Hill approximation. The calculation of thermal transport properties at various temperature shows the high value of Seebeck coefficient and figure of merit ( ZT ) = 0.25 at room temperature in consistent to the experimental results." @default.
- W2046064489 created "2016-06-24" @default.
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- W2046064489 date "2015-01-01" @default.
- W2046064489 modified "2023-09-23" @default.
- W2046064489 title "Study of 5f electron based filled skutterudite compound EuFe4Sb12, a thermoelectric (TE) material: FP-LAPW method" @default.
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- W2046064489 doi "https://doi.org/10.1016/j.jallcom.2014.09.086" @default.
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