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Figure 1.  Schematic representation of the possible crystal configurations of Mn₂X In (X = Fe, Co): (a) XA–I, (b) XA–II.

Figure 2.  Representation of three different possible magnetic states of Mn₂X In (X = Fe, Co) inverse Heusler. The black arrow on Mn atoms represents the electron spin alignment. (a) Ferromagnetic (FM), where all Mn atoms exhibit identical magnetic moment orientations, (b) A-type antiferromagnetic (A-AFM), where the spins are aligned in the same direction in (001) plane, (c) G-type antiferromagnetic (G-AFM) compounds, where each nearest Mn atom has opposite spin.

Figure 3.  Calculated total energy for Mn₂X In (X = Fe, Co) as a function of lattice parameters for the FM, A-AFM, and G-AFM structures: (a) Mn₂FeIn, (b) Mn₂CoIn.

Figure 4.  Variations of magnetic moment and spin polarization with variation under biaxial strain for (a) Mn₂FeIn and (b) Mn₂CoIn.

Figure 5.  PDOS of Fe [(a)–(c)] and Mn2 [(d)–(f)] for Mn₂FeIn under different biaxial strain at 5% in panels (a) and (d), 2.5% in panels (b) and (e), and −2% in panels (c) and (f).

Figure 6.  PDOS of Mn1 for Mn₂CoIn under different biaxial strains at 5%, 2.5%, and −2%.

Figure 7.  Variations of spin polarization (SP) with strain for Mn₂FeIn and Mn₂CoIn.

Figure 8.  Plots of total and partial DOSs under different strains: (a) Mn₂FeIn and (b) Mn₂CoIn.

Figure 9.  Band structures: majority spin (red lines) and minority spin (blue lines) of Mn₂FeIn under the strain of −2% [(a) and (b)] and 5% [(c) and (d)].

Figure 10.  Splitting of d-orbital in Mn₂FeIn Heusler compounds.

Figure 11.  Partial DOS of d-orbital for the Mn₂FeIn with the strain of (a) 5% and (b) 0%.

Figure 12.  (a) Structural diagram of Mn₂FeIn, MAE [100] of each atom under the strain of (b) 5% and (c) −2%.

Figure 13.  The orbital-resolved MAE of the Fe and Mn1 under the strain of 5% and −2%.

Figure 14.  The PDOSs of Fe and Mn1 atoms in the layer-II.

Figure 15.  The d-orbital-projected band structures of Fe in Mn₂FeIn under the different strain.

Figure 16.  The d-orbital-projected band structures of Mn1 in Mn₂FeIn under the different strain.