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(a) Magnetic moments of all atoms, (b) strain dependence of for three Ir concentrations, , 0.125, and 0.25, (c) slope of and tetragonal shear constants , and (d) tetragonal magnetostriction as a function of the Ir concentration x in , where a vertical line is drawn to guide the eye and to distinguish the two regions.
Configurations A–E for ; dark large, light large, and dark small spheres represent Ir, Pt, and Fe atoms, respectively. The first Ir atom is always located on the corner denoted in dark, whereas the second Ir atom takes the place of one of the light spheres labeled A–E.
DOS of spin-up at for (a) Ir atoms, (b) Pt atoms at , and (c) Pt atoms at . The solid (dotted) line denotes the orbital. (d) of spin-up states of Ir (Pt) are shown with a thick (thin) line, whereas the solid (dotted) line represents the orbital.
Atomic and spin-channel contributions to (meV/atom) from individual atoms at two distortions, contracted and elongated , for and 0.25 in .
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