First Principles Investigations of Structural and Magnetic Properties of Fe-Ni-Mn-Al Heusler Alloys

Abstract:

In this work the magnetic and structural properties of quaternary Fe-Ni-Mn-Al Heusler alloys are studied. We use first principles calculations to investigate crystal lattice relaxation of alloys and their coupling to the magnetic order, with a particular focus on the tetragonal distortions characterized by the c/a ratio. It follows from our calculations that Fe-Ni-Mn-Al alloys have very interesting magnetic properties and can be good candidates as multifunctional magnetic materials.

• Periodical: Solid State Phenomena (Volumes 233-234)
• Pages: 187-191
• DOI: https://doi.org/10.4028/www.scientific.net/SSP.233-234.187
• Online since: July 2015
• Authors: Vasiliy D. Buchelnikov, Marina A. Klyuchnikova, Mikhail A. Zagrebin*, Vladimir V. Sokolovskiy
• Keywords: First Principles Calculations, Heusler Alloys, Lattice Relaxation

References

[1] J. Restrepo, C. González, G.A. Pérez Alcázar, O. Arnache, and J. -M. Greneche, Bulk Magnetic Properties of the Fe0. 5Mn0. 1Al0. 4 Disordered Alloy: A Monte Carlo Study, Hyperfine Interact. 148-149 (2003) 285-293.

DOI: 10.1023/b:hype.0000003790.20171.2e

[2] G.A.P. Alcázar, Structural and magnetic properties of Fe-Mn-Al, Fermanal, steels, Rev. Acad. Colomb. Cienc. 28 (2004) 265-274.

[3] E.A. Nesbitt, H.J. Williams and R.M. Bozorth, Factors Determining the Permanent Magnet Properties of Single Crystals of Fe2NiAl, J. Appl. Phys. 25 (1954) 1014-1020.

DOI: 10.1063/1.1721783

[4] A.N. Vasil'ev, V.D. Buchel'nikov, T. Takagi, V.V. Khovailo and E.I. Estrin, Shape memory ferromagnets, Phys. -Usp. 46 (2003) 559-588.

DOI: 10.1070/pu2003v046n06abeh001339

[5] V.D. Buchelnikov, and V.V. Sokolovskiy, Magnetocaloric effect in Ni-Mn-X (X = Ga, In, Sn, Sb) Heusler alloys, Phys. Met. Metallogr. 112 (2011) 633-665.

DOI: 10.1134/s0031918x11070052

[6] V.D. Buchelnikov, M.A. Zagrebin, V.V. Sokolovskiy, I.A. Taranenko, and A. T. Zayak, Investigation of structural and magnetic properties of Heusler Fe2+xMn1−xAl alloys by first principles method, Phys. Status Solidi C, 5-6 (2014) 979-983.

DOI: 10.1002/pssc.201300719

[7] G.A. Perez Alcazar, J.A. Plascak, and E.G. da Silva, Magnetic properties of Fe-Mn-Al alloys in the disordered phase, Phys. Rev. B 38 (1988) 2816-2819.

DOI: 10.1103/physrevb.38.2816

[8] H. Bremers, J. Hesse, H. Ahlers, J. Sievert, and D. Zachmann, Order and magnetic properties of Fe89-xMn11Alx alloys: magnetization measurements and X-ray diffraction, J. Alloys Compd. 366 (2004) 67-75.

DOI: 10.1016/s0925-8388(03)00726-6

[9] C. Paduani, A. Migliavacca, W.E. Pöttker, J. Schaf, J.C. Krause, J.D. Ardisson, C.A. Samudio Pérez, A.Y. Takeuchi, and M.I. Yoshida, A study of Fe2+xMn1-xAl alloys: Structural and magnetic properties, Physica B 398 (2007) 60-64.

DOI: 10.1016/j.physb.2007.04.068

[10] T. Omori, K. Ando, M. Okano, X. Xu, Y. Tanaka, I. Ohnuma, R. Kainuma, K. Ishida, Superelastic Effect in Polycrystalline Ferrous Alloys, Science 333 (2007) 68-71.

DOI: 10.1126/science.1202232

[11] S.M. Azar, B.A. Hamad, and J.M. Khalifeh, Structural, electronic and magnetic properties of Fe3-xMnxZ (Z = Al, Ge, Sb) Heusler alloys, J. Magn. Magn. Mater. 324 (2012) 1776-1785.

[12] Quantum ESPRESSO package Version 5. 0 on http: /www. pwscf. org.