The Effect of Pt-doping on Properties of Ni-Mn-(Ge, In) Heusler Alloys
Mikhail A. Zagrebin, Vladimir V. Sokolovskiy, Vasiliy D. Buchelnikov, Olga N. Miroshkina, Mariya V. Matyunina
Abstract. In this paper, structural (lattice parameter, tetragonal distortions) and magnetic (total magnetic moments, magnetic exchange parameters) properties for Ni2–xPtxMn(Ge,In) Heusler alloys were studied using density functional theory. It was shown that the equilibrium crystal lattice parameter of the austenite increases with increasing Pt content. The investigation of the magnetic exchange parameters shows that the largest contribution to the total exchange energy is associated with the interaction between the nearest neighboring Ni-Mn atoms. The concentration dependences of the Curie temperature were calculated by means Monte Carlo method. The temperatures of the martensitic phase transitions were estimated. It was shown that the temperature of martensitic phase transition increases with increasing Pt content. Based on these temperatures, a phase diagram for Ni2–xPtxMn(Ge, In) Heusler alloys for the whole range of Pt concentration (0 ≤ x ≤ 2) is plotted.
Keywords
Density Functional Theory, Exchange Interaction, Curie Temperature, Heusler Alloys
Published online 11/15/2018, 6 pages
Copyright © 2018 by the author(s)
Published under license by Materials Research Forum LLC., Millersville PA, USA
Citation: Mikhail A. Zagrebin, Vladimir V. Sokolovskiy, Vasiliy D. Buchelnikov, Olga N. Miroshkina, Mariya V. Matyunina, ‘The Effect of Pt-doping on Properties of Ni-Mn-(Ge, In) Heusler Alloys’, Materials Research Proceedings, Vol. 9, pp 122-127, 2018
DOI: http://dx.doi.org/10.21741/9781644900017-23
The article was published as article 23 of the book Shape Memory Alloys
References
[1] K. Ullakko, J.K. Huang, C. Kantner, R.C. O’Handley, V. V. Kokorin, Large magnetic‐field‐induced strains in Ni2MnGa single crystals, Appl. Phys. Lett. 69 (1996) 1966-1968. https://doi.org/10.1063/1.117637
[2] S.J. Murray, M. Marioni, S.M. Allen, R.C. O’Handley, T.A. Lograsso, 6% magnetic-field-induced strain by twin-boundary motion in ferromagnetic Ni-Mn-Ga, Appl. Phys. Lett.77 (2000) 886-888. https://doi.org/10.1063/1.1306635
[3] A. Sozinov, A.A. Likhachev, N. Lanska, K. Ullakko, Giant magnetic-field-induced strain in NiMnGa seven-layered martensitic phase, Appl. Phys. Lett. 80 (2002) 1746-1748. https://doi.org/10.1063/1.1458075
[4] M. Siewert, M.E. Gruner, A. Hucht, H.C. Herper, A. Dannenberg, A. Chakrabarti, N. Singh, R. Arróyave, P. Entel, A First-Principles Investigation of the Compositional Dependent Properties of Magnetic Shape Memory Heusler Alloys, Adv. Eng. Mat. 14 (2012) 530-546. https://doi.org/10.1002/adem.201200063
[5] P. Entel, M. Siewert, M.E. Gruner, A. Chakrabarti, S.R. Barman, V.V. Sokolovskiy, V.D. Buchelnikov, Optimization of smart Heusler alloys from first principles, J. Alloy. Compd. 577 (2013) S107-S112. https://doi.org/10.1016/j.jallcom.2012.03.005
[6] G. Kresse, J. Furthmuller, Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set, Phys. Rev. B. 54 (1996) 11169-11186. https://doi.org/10.1103/PhysRevB.54.11169
[7] G. Kresse, D. Joubert, From ultrasoft pseudopotentials to the projector augmented-wave method, Phys. Rev. B. 59 (1999) 1758-1775. https://doi.org/10.1103/PhysRevB.59.1758
[8] H. Ebert, D. Ködderitzsch, J. Minár, Calculating condensed matter properties using the KKR-Green’s function method – Recent developments and applications, Rep. Prog. Phys. 74 (2011) 096501. https://doi.org/10.1088/0034-4885/74/9/096501
[9] J.P. Perdew, K. Burke, M. Ernzerhof, Generalized Gradient Approximation Made Simple, Phys. Rev. Lett. 77 (1996) 3865-3868. https://doi.org/10.1103/PhysRevLett.77.3865
[10] D.P. Landau, K. Binder, A Guide to Monte Carlo Simulations in Statistical Physics, Cambridge University Press, Cambridge, 2005. https://doi.org/10.1017/CBO9780511614460
[11] M.A. Zagrebin, S.A. Derevyanko, V.V. Sokolovskiy, V.D. Buchelnikov, Complex investigations of phase diagram of Ni-Pt-Mn-Ga Heusler alloys, Letters on Materials 8 (2018) 21-26. https://doi.org/10.22226/2410-3535-2018-1-21-26
