The Theoretical Investigation of Electronic, Magnetic, and Thermoelectric Behavior of LiZ2O4 (Z = Mn, Fe, Co, and Ni) by Modified Becke and Johnson Approach
The Theoretical Investigation of Electronic, Magnetic, and Thermoelectric Behavior of LiZ2O4 (Z = Mn, Fe, Co, and Ni) by Modified Becke and Johnson Approach
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关键词
Density functional theory (DFT), Ferromagnetic semiconductors, Spinel structure, Thermal conductivity, Exchange mechanism, John-Teller effect
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