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

Mankovsky, S. and Koedderitzsch, D. and Woltersdorf, G. and Ebert, H. (2013) First-principles calculation of the Gilbert damping parameter via the linear response formalism with application to magnetic transition metals and alloys. PHYSICAL REVIEW B, 87 (1): 014430. ISSN 2469-9950, 2469-9969

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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 3d transition metals bcc Fe, hcp Co, and fcc Ni; their binary alloys bcc Fe1-xCox, fcc Ni1-x Fe-x, fcc Ni1-x Co-x and bcc Fe1-x V-x; and for 5d impurities in transition-metal alloys. All results are in satisfying agreement with experiment.

Item Type: Article
Uncontrolled Keywords: DILUTE ALLOYS; LATTICE DISTORTION; FMR LINEWIDTH; RELAXATION; RESONANCE; CONDUCTIVITY; EXCHANGE; DYNAMICS;
Subjects: 500 Science > 530 Physics
Divisions: Physics > Institute of Experimental and Applied Physics
Physics > Institute of Experimental and Applied Physics > Chair Professor Huber > Group Rupert Huber
Depositing User: Dr. Gernot Deinzer
Date Deposited: 28 Apr 2020 06:03
Last Modified: 28 Apr 2020 06:03
URI: https://pred.uni-regensburg.de/id/eprint/17274

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