Abstract
AbstractWe report on a theoretical study of the elastic, thermic and transport properties of the quaternary full Heusler alloy Co2VGa0.25Al0.75 using a full‐potential linearized augmented‐plane wave—method based on Wien2k program. We made this study by the use of three different approximations: the generalized gradient approximations (GGA), within GGA+ Hubbard parameter and the modified Becke–Johnson (mBJ). The calculated band structure (BS) and density of states (DOS) of Co2VGa0.25Al0.75 showed a half‐metallic (mBJ), nearly half‐metallic (GGA) and metallic (GGA + U) behavior. Moreover, the magnetic computed magnetic moments by GGA + U are higher compared to GGA and mBJ results. We studied the thermal properties of Co2VGa0.25Al0.75 compound, through the Debye model. This alloy seem is a good candidate of spintronic devices. Finally, we examined the transport characteristics within Boltzrap function. Moreover, we found significant values of the figure of merit (ZT), which makes our material ideal for thermoelectric power generation.
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