Comparative Study of Compressibility of Ni₂MnX (X=In, Sn, Sb) Heusler Alloys

Abstract

The present study is focused on the compressibility of Ni 2 MnX (X = In, Sn, Sb) Heusler alloys, which were investigated from the first principles. The study of the pressure effect on the magnetic properties of Ni 2 MnX (X = In, Sn, Sb) predicted the decrease in the total magnetic moment from ambient pressure to pressure above 20 GPa.

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

“…The cut-off energy was chosen to be - 161.02 [26] 128.5 [25] 87 [24] 145.31 [26] 14.8 [25] 5.49 [25] 158.1 [25] 137.46 [26] 81.3 [25] 138.4 [25] 8 [24] 11 [24] 158.12 [28] 128.41 [28] 92.56 [26] 81.28 [28] Ni theoretical and experimental data. Good agreement is found with the available data [13,[23][24][25][26][27][28], with the exception of the quaternary alloy. Total energy under compression for all alloys is plotted in Fig.…”

“…According to Barman et al [35], this double peak plays a crucial role in favoring martensitic transition. Moreover, we note that the ( Table III, together with available theoretical data [13,15,24,25,27,28].…”

“…Using spin polarized density functional theory (DFT) [17,18] with full potential linear augmented plane wave plus local orbitals (FP-LAPW+lo) method as implemented in the 6.00 [13] 168.3 [13] 6.00 [13] 6.004 [23] 139.7 [25] 6.051 [25] Ni WIEN2k code [19], we determine total energy and electronic structure. Perdew-Burke-Ernzerhof generalized gradient approximation (PBE-GGA) [20] is used to get the exchange correlation potential.…”

“…Some first-principles electronic structure calculations have been done on Ni 2 MnX (X=Sn, Sb) systems, with the idea of realizing new MSMA's with better performances than that of Ni 2 MnGa. Most of the calculations were focused on these alloys compressibilities [13]. Hydrostatic effect on Curie's temperature (TC) has been experimentally studied with pressure [10].…”

Electronic Structure and Magnetic Properties of Ni2MnGa1-xGexand Disordered Ni2MnSn Heusler Alloys

“…Higher values of the total moment for ordered Ni 2 MnSn alloys achieved in ab initio calculation have been reported in [15][16][17][18]. We notice that the calculated value of DOS at the Fermi energy depends weakly on the alloy composition and the slight decrease in the DOS at the Fermi energy is found.…”