Abstract
The supercell approach method was used to investigate the effect of partial substitution of Pt with Co on the TiPt potential shape memory alloy. The first-principles calculations were carried out within the generalized gradient approximation to determine the stability of the Ti50Pt50-xCoxfor x=6.25, 18.75 and 25. We found that the calculated heats of formation and density of states predicted the 6.25 at. % Co to be the most stable structures compared. The elastic properties, thermal coefficient of linear expansion and the density of states results suggest that the partial substitution of Pt with Co decreases the Ms of TiPt with the softening of the Cʹ shear moduli.
Publisher
Trans Tech Publications, Ltd.
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