Structural, elastic, electronic and magnetic properties of Ni2MnSb, Ni2MnSn and Ni2MnSb0.5Sn0.5 magnetic shape memory alloys

O. Benguerine, Z. Nabi, B. Benichou, B. Bouabdallah, H. Bouchenafa, M. Maachou, R. Ahuja

Abstract


Structural, elastic, electronic and magnetic properties of the Nickel-based magnetic shape memory alloys (MSMA) Ni2MnSb, Ni2MnSn and Ni2MnSb0.5Sn0.5, are investigated using the full-potential linearized plane wave plus local orbital method (FP-LAPW+lo). With Perdew-Burke-Ernzerhof (PBE) exchange-correlation, generalized gradient approximation (GGA) is used to describe the electronic exchange correlations energy. Equilibrium lattice constant, bulk modulus, and its pressure derivative are calculated and compared with available data. Using the total energy versus strain in the framework of the FP-LAPW+lo approach, we compute the elastic constants of the studied compounds in their austenite structure. Good agreement is found with other calculations both for Ni2MnSb and Ni2MnSn. Magnetic moments agree well with available results.


Keywords


Ab initio study, MSMA alloys, elastic constants, quaternary Heusler alloy.

Full Text:

PDF

References


P.J. Webster, K.R.A. Ziebeck, S.L. Town, M.S. Peak, Phil. Mag. B. 49 (1984) 295-310.

C. Biswas, R. Rawat, S.R. Barman, Appl. Phys. Lett. 86 (2005) 202508.

A. Sozinov, A.A. Likhachev, N. Lanska, K. Ullakko, Appl. Phys. Lett. 80 (2002) 1746-1748.

M.E. Gruner, W.A. Adeagbo, A.T. Zayak, A. Hucht, S. Bushmann and P. Entel, Eur. Phys. J. Spec. Top. 158 (2008) 193-198.

Q-M. Hu, C-M. Li, R. Yang, SE. Kulkova, D I. Bazhanov, B. Johansson and L. Vitos, Phys. Rev. B. 79 (2009) 140407.

M.A. Uijttewal, T. Hickel, J. Neugebauer, M.E. Gruner and P. Entel, Phys. Rev. Lett. 102 (2009) 035702.

V.D. Buchelnikov, V.V. Sokolovskiy, S.V. Taskaev, V.V. Khovaylo, A.A. Aliev, L.N. Khanov, A.B. Batdalov, P. Entel, H. Miki and T. Takagi, J. Phys. D: Appl. Phys. 44 (2011) 064012.

S. Ghosh, L. Vitos and B. Sanyal, Physica. B. 406 (2011) 2240-2244.

P. J. Webster, R.M. Mankikar, J. Magn. Magn. Mater. 42 (1984) 300-308.

T. Kanomata, K. Chirakawa, T. Kaneko, J. Magn. Magn. Mater. 65 (1987) 76-82.

I. Galanakis, J. Phys. Condens. Matter. 6 (2004) 3089.

F. Ahmadian and A. Boochani, Physica. B. 406 (2011) 2865-2870.

M. Pugaczowa-Michalska, Acta Physica Polonica A. 113 (2008) 629-632.

A.G. Gavriliuk, G.N. Stepanov, V.A. Sidorov, S.M. Irkaev, J. Appl. Phys. 79 (1996) 2609-2612.

E. Şaşioğlu, L.M. Sandratskii and P. Bruno, J. Magn. Magn. Mat. 385 (2005) 290-291.

B. Benichou, H. Bouchenafa, Z. Nabi and B. Bouabdallah, Rev. Mex. Fis. 65 (2019) 468-474.

P. Hohenberg, W. Kohn, Phys. Rev. B. 136 (1964) 864-871.

W. Kohn, L.J. Sham, Phys. Rev. 140 (1965) A1133-A1138.

P. Blaha, K. Schwarz, G.K.H. Madsen, D. Kvasnicka and J. Luitz: WIEN2k, An augmented plane wave plus local orbitals program for calculating crystal properties, Vienna University of Technology, Vienna, Austria (2001).

J.P. Perdew, K. Burke and M. Ernzerhof, Phys. Rev. Lett. 77 (1996) 3865-3868.

J. Rath and A.J. Freeman, Phys. Rev. B. 11 (1975) 2109.

F.D. Murnaghan, Proc. Natl, Acad Sci. USA. 30 (1944) 5390.

P.J. Webster and K.K.A. Ziebeck, in alloys and Compounds with Main Group Elements, Part 2, edited by H.P.J. Wijn, Londolt-Bornstein, New Series Group III, Vol. 19/C (Springer, Berlin, 1988), pp. 75-184.

A. Ayuela, J. Enkovaara, K. Ullakko and R.M. Nieminen, J. Phys.: Condens. Matter. 11 (1999) 2017-2026.

S. Ağduk and G. Gökoğlu, J. Alloy. Compd. 511 (2012) 9-13.

T. Roy, D. Pandey and A. Chakrabarti, Phys. Rev. B. 93 (2016) 184102.

P.J. Webster, Comtemp. Phys. 10 (1969) 559-577.

B. Hamri, B. Abbar, A. Hamri, O. Baraka, A. Hallouche and A. Zaoui, Comput. Condens. Matter. 3 (2015) 14-20.




DOI: https://doi.org/10.31349/RevMexFis.66.121

Refbacks

  • There are currently no refbacks.


Revista Mexicana de Física

ISSN: 2683-2224 (on line), 0035-001X (print)

Bimonthly publication of Sociedad Mexicana de Física, A.C.
Departamento de Física, 2o. Piso, Facultad de Ciencias, UNAM.
Circuito Exterior s/n, Ciudad Universitaria. C. P. 04510 Ciudad de México.
Apartado Postal 70-348, Coyoacán, 04511 Ciudad de México.
Tel/Fax: (52) 55-5622-4946, (52) 55-5622-4840. rmf@ciencias.unam.mx