Deep Potential Effect on Magnetism of Binary Including Spintronic Material

Abstract

Magnetic moments on transition elements strongly depend on their circumstances. Generally, the magnetic moments, surrounded by neighbor atoms having deep potential, seem to be enhanced. For example, the moment on Iron (Fe) is indeed enhanced in the Ni₃Fe and Ni-Fe-Ga as shown in the previous calculation. \\citerf1 In both alloys, the nearest neighbors of Fe are Nickel (Ni) atoms, having deeper potential than Fe.
To examine the effect of surrounding deep potential, the electronic structures of binary alloys between 3d-transition-metal elements are calculated for the B2 and L1₂ structure. The surrounding deeper potential draw the electronic states of the subject atoms into lower energy range and bring the various moments and interesting features. In other words, the effects of surrounding potential can control energy level of DOS peak or the band gap. Were the structure of Cu₃V to be the L1₂, the magnetic moment on V would become unusually large (1.99 μ_B). Some alloys calculated show the high spin polarization at the Fermi level (E_F). The values of the spin polarization at the E_F evaluated from the density of states (DOS) for Ni₃Cr, Ni₃Co and CoFe are 0.94, −0.86 and −0.88 respectively. To control the energy level of DOS peak or the band gap would give us another means for finding new spintronic materials. The relations between whole magnetic moment and the valence electron concentration show the Slater-Pauling like behavior.