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Defect formation energy and magnetic properties of off-stoichiometric Ni-Mn-In alloys by first-principles calculations

Abstract : Ni-Mn-In is a novel type of magnetic shape memory alloy; it actualizes the shape memory effect through reverse martensitic transformation induced by magnetic field. But martensitic transformation cannot occur in the stoichiometric Ni2MnIn. Therefore, the composition adjustment must be carried out around stoichiometric Ni2MnIn in order to get the appropriate martensitic transformation temperature and Curie temperature. A variety of point defects would be generated during the process of composition adjustment. In this paper, the defect formation energies and the magnetic properties of the defect-introduced off-stoichiometric Ni-Mn-In alloys are systematically investigated. The results are particularly useful in guiding composition design.
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https://hal.univ-lorraine.fr/hal-01500808
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Submitted on : Monday, April 3, 2017 - 4:56:03 PM
Last modification on : Tuesday, October 19, 2021 - 11:46:26 AM

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J. Bai, N. Xu, Jean-Marc Raulot, Yu Dong Zhang, Claude Esling, et al.. Defect formation energy and magnetic properties of off-stoichiometric Ni-Mn-In alloys by first-principles calculations. Journal of Applied Physics, American Institute of Physics, 2013, 113 (17), ⟨10.1063/1.4803139⟩. ⟨hal-01500808⟩

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