Resumen de Structural, elastic, electronic and magnetic properties of Ni_(2)MnSb, Ni_(2)MnSn and Ni_(2)MnSb_(0.5)Sn_(0.5) magnetic shape memory alloys
O. Benguerine, Z. Nabi, B. Benichou, B. Bouabdallah, H. Bouchenafa, M. Maachou, R. Ahuja
Structural, elastic, electronic, and magnetic properties of the Nickel-based magnetic shape memory alloys (MSMA) Ni_(2)MnSb, Ni_(2)MnSn and Ni_(2)MnSb_(0.5)Sn_(0.5), are investigated using the full-potential linearized plane wave plus local orbital method (FP-LAPW+lo). With PerdewBurke-Ernzerhof (PBE) exchange-correlation, generalized gradient approximation (GGA) is used to describe the electronic exchange correlation 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 Ni_(2)MnSb and Ni_(2)MnSn. Magnetic moments agree well with available results.
