First-principles calculation of the Gilbert damping parameter via the linear response formalism with application to magnetic transition-metals and alloys

Abstract

A method for the calculations of the Gilbert damping parameter $\alpha$ is presented, which based on the linear response formalism, has been implemented within the fully relativistic Korringa-Kohn-Rostoker band structure method in combination with the coherent potential approximation alloy theory. To account for thermal displacements of atoms as a scattering mechanism, an alloy-analogy model is introduced. This allows the determination of $\alpha$ for various types of materials, such as elemental magnetic systems and ordered magnetic compounds at finite temperature, as well as for disordered magnetic alloys at $T=0$ K and above. The effects of spin-orbit coupling, chemical and temperature induced structural disorder are analyzed. Calculations have been performed for the 3$d$ transition-metals bcc Fe, hcp Co, and fcc Ni, their binary alloys bcc Fe${}_{1-x}$Co${}_x$, fcc Ni${}_{1-x}$Fe${}_x$, fcc Ni${}_{1-x}$Co${}_x$ and bcc Fe${}_{1-x}$V${}_x$, and for 5d impurities in transition-metal alloys. All results are in satisfying agreement with experiment.

References in corpus (4)

• Identification of the dominant precession damping mechanism in Fe, Co, and Ni by first-principles calculations
• Atomistic spin dynamic method with both damping and moment of inertia effects included from first principles
• Low relaxation rate in a low-Z alloy of iron
• Gilbert damping and spin Coulomb drag in a magnetized electron liquid with spin-orbit interaction

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