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Competition Between Cubic And Tetragonal Phasesin All-D-Metal Heusler Alloys, X2-Xmn1+Xv (X= Pd, Ni, Pt, Ag, Au, Ir, Co; X= 1, 0): A New Potential Direction Of The Heusler Family, Yilin Han, Mengxin Wu, Yu Feng, Zhenxiang Cheng, Tingting Lin, Tie Yang, Rabah Khenata, Xiaotian Wang
Competition Between Cubic And Tetragonal Phasesin All-D-Metal Heusler Alloys, X2-Xmn1+Xv (X= Pd, Ni, Pt, Ag, Au, Ir, Co; X= 1, 0): A New Potential Direction Of The Heusler Family, Yilin Han, Mengxin Wu, Yu Feng, Zhenxiang Cheng, Tingting Lin, Tie Yang, Rabah Khenata, Xiaotian Wang
Australian Institute for Innovative Materials - Papers
In this work, a series of all-d-metal Heusler alloys, X 2 - x Mn 1 + x V (X = Pd, Ni, Pt, Ag, Au, Ir, Co; x; = 1, 0), were predicted by first principles. The series can be roughly divided into two categories: XMn 2 V (Mn-rich type) and X 2 MnV (Mn-poor type). Using optimized structural analysis, it is shown that the ground state of these all-d-metal Heusler alloys does not fully meet the site-preference rule for classic full-Heusler alloys. All the Mn-rich type alloys tend to form the L2 1 structure, where the two Mn atoms …