Calculation of Gilbert damping and magnetic moment of inertia using the torque-torque correlation model within an ab initio Wannier framework

Bajaj, R and Lee, S-C and Krishnamurthy, HR and Bhattacharjee, S and Jain, M (2024) Calculation of Gilbert damping and magnetic moment of inertia using the torque-torque correlation model within an ab initio Wannier framework. In: Physical Review B, 109 (21).

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Abstract

Magnetization dynamics in magnetic materials are well described by the modified semiclassical Landau-Lifshitz-Gilbert equation, which includes the magnetic damping α and the magnetic moment of inertia I, both usually being tensors, as key parameters. Both parameters are material specific and physically represent the timescales of damping of precession and nutation in magnetization dynamics. α and I can be calculated quantum mechanically within the framework of the torque-torque correlation model. The quantities required for the calculation are torque matrix elements, the real and imaginary parts of the Green's function, and its derivatives. Here, we calculate these parameters for the elemental magnets such as Fe, Co, and Ni in an ab initio framework using density functional theory and Wannier functions. We also propose a method to calculate the torque matrix elements within the Wannier framework. We demonstrate the effectiveness of the method by comparing it with the experiments and previous ab initio and empirical studies and show its potential to improve our understanding of spin dynamics and to facilitate the design of spintronic devices. © 2024 American Physical Society.

Item Type:	Journal Article
Publication:	Physical Review B
Publisher:	American Physical Society
Additional Information:	The copyright for this article belongs to American Physical Society.
Keywords:	Damping; Density functional theory; Magnetic materials; Magnetic moments; Magnetization; Spin dynamics, Ab initio; Correlation modeling; Gilbert damping; Landau-Lifshitz-Gilbert equations; Magnetic damping; Magnetization dynamics; Matrix elements; Moments of inertia; Torque correlation; Wannier, Torque
Department/Centre:	Division of Physical & Mathematical Sciences > Physics
Date Deposited:	04 Aug 2024 13:13
Last Modified:	04 Aug 2024 13:13
URI:	http://eprints.iisc.ac.in/id/eprint/85710

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