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Theoretical investigation of the magnetic and structural transitions of Ni-Co-Mn-Sn metamagnetic shape-memory alloys
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
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2015 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 92, no 2, 024105Article in journal (Refereed) Published
Abstract [en]

The composition-dependent crystal structure, elastic modulus, phase stability, and magnetic property of Ni2-xCoxMn1.60Sn0.40 (0 <= x <= 0.50) are studied by using first-principles calculations in combination with atomistic spin dynamics method. It is shown that the present lattice parameters and Curie temperature (T-C) are in agreement with the available experimental data. The martensitic phase transformation (MPT) occurs for x < 0.43, where the austenite is in the ferromagnetic (FM) state whereas the martensite is in the antiferromagnetic (AFM) one at 0 K. The x dependence of the lattice parameter, elastic modulus, and energy difference between the FM austenite and the AFM martensite well accounts for the decrease of the MPT temperature (TM) with the Co addition. With increasing x, the increase of the magnetic excitation energy between the paramagnetic and FM austenite of these alloys is in line with the T-C similar to x. The Ni 3d as well as the Co 3d electronic states near the Fermi level are confirmed mainly dominating the phase stability of the studied alloys.

Place, publisher, year, edition, pages
2015. Vol. 92, no 2, 024105
National Category
Physical Sciences
URN: urn:nbn:se:uu:diva-259646DOI: 10.1103/PhysRevB.92.024105ISI: 000357855900004OAI: oai:DiVA.org:uu-259646DiVA: diva2:847606

Funding: National Natural Science Foundation of China 51171187, 51271181, 51301176, Ministry of Science and Technology of China 2014CB644001, China Postdoctoral Science Foundation, Institute of Metal Research, Chinese Academy of Sciences, Shenyang National Laboratory for Material Science 

Available from: 2015-08-20 Created: 2015-08-10 Last updated: 2015-08-20Bibliographically approved

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Johansson, BörjeVitos, Levente
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