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Structural and Elastic Properties of the Magnetic Shape Memory Ni2MnGa1−xInx Alloy
Fumiya Kitanishi,Kohji Nakamura,Toru Akiyama,Tomonori Ito 한국물리학회 2013 THE JOURNAL OF THE KOREAN PHYSICAL SOCIETY Vol.63 No.3
The structural and the elastic properties of the magnetic shape memory Ni2MnGa1−xInx (x 0.25) alloy were investigated from first principles calculations within the generalized gradient approximationby using the full-potential linearized augmented plane-wave method and the Connolly-Williams cluster expansion method. The calculated lattice constant and bulk modulus have analmost linear dependence on the In composition x, where the former increases and the latter decreaseswhen x increases. In contrast, the calculated shear modulus, C0 = (C11 − C12)/2, of thedisordered state, which shows a nonlinear dependence on x, indicates that a deviation from thestoichiometric composition Ni2MnGa (x = 0) enhances the elastic tetragonal anisotropy.