Real-space Nonlocal Gilbert Damping from Exchange Torque Correlation Applied to Bulk Ferromagnets and Their Surfaces

Nagyfalusi, Balázs and Szunyogh, László and Palotás, Krisztián (2024) Real-space Nonlocal Gilbert Damping from Exchange Torque Correlation Applied to Bulk Ferromagnets and Their Surfaces. PHYSICAL REVIEW B : COVERING CONDENSED MATTER AND MATERIALS PHYSICS, 109 (9). No.-094417. ISSN 2469-9950 (print); 2469-9969 (online)

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Abstract

In this work we present an ab initio scheme based on linear response theory of exchange torque correlation, implemented into the real-space Korringa-Kohn-Rostoker (RS-KKR) framework to calculate diagonal elements of the atomic-site dependent intrinsic Gilbert damping tensor. The method is first applied to bcc iron and fcc cobalt bulk systems. Beside reproducing earlier results from the literature for those bulk magnets, the effect of the lattice compression is also studied for Fe bulk, and significant changes for the Gilbert damping are found. Furthermore, (001)-oriented surface of Fe and Co are also investigated. It is found that the on-site Gilbert damping increases in the surface atomic layer and decreases in the subsurface layer, and approaches the bulk value moving further inside the magnets. Realistic atomic relaxation of the surface layers enhances the identified effects. The first-neighbor damping parameters are extremely sensitive to the surface relaxation. Despite their inhomogeneity caused by the surface, the transverse Gilbert damping tensor components remain largely insensitive to the magnetization direction.

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