We present the all-electron charge and spin self-consistent electronic structure of Ni₁₋ₓFeₓ Permalloys for a range of Fe concentrations. using the first-principles Korringa-Kohn-Rostoker coherent potential approximation (KKR-CPA) scheme to treat disorder and the local spin density approximation to incorporate exchange-correlation effects. Recent high-resolution angle-resolved photoemission spectroscopy (ARPES) experiments on Ni0.90Fe0.10 and Ni0.80Fe0.20 Permalloys are analyzed in terms of the spectral density function, ABkⅡ, k⊥ = 0, EF), computed from the KKR-CPA Green function for kⅡ values varying along the Γ-K direction in the Brillouin zone. The widths of the majority as well as the minority spin peaks in the theoretical spectra are in excellent accord with the corresponding ARPES results in all cases, suggesting that spin-dependent disorder scattering constitutes the main scattering mechanism for the carriers in the Permalloys. Majority spin states of Ni are virtually undamped by the Fe impurities, while the minority spins at the Fermi energy (EF) are heavily damped. The,nature of the Ni and Fe potentials in the Permalloys is explored in detail. The effective disorder parameter in the alloy is found to be strongly dependent on the energy, momentum, spin, and symmetry of the specific states involved. The evolution of the electronic states on the Ni and Fe sites as a function of Fe concentration is discussed. The magnetic moments on Ni as well as on Fe are found to remain essentially unchanged with increasing Fe content.


Originally published in Physical Review B v.65 (2002): 075106. DOI: 10.1103/PhysRevB.65.075106


Ni1-xFex Permalloys, angle-resolved photoemission, ARPES, Korringa-Kohn-Rostoker coherent potential approximation

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Photoemission, Spectrum analysis, Scattering (Physics)




American Physical Society

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Copyright 2002 American Physical Society.

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