Ni Excess and Electronic Structures of Multi-Functional Ni2.17Mn0.83Ga
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概要
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The electronic structures of Ni2.17Mn0.83Ga predict that the tetragonal, the orthorhombic and the monoclinic structure can be a martensitic phase and the monoclinic structure is the most stable. The stabilization of the monoclinic structure mainly comes from the difference of the kinetic energy. Then, the Ni excess plays an important role in the stabilization of the crystal structure. The Ni excess atoms make the tetragonal and orthorhombic structures unstable and the monoclinic structure stable. It is also found that the Ni excess atoms prefer the Mn sites and the magnetic moments in the monoclinic structure are smaller than those in the other structures.
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