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This chapter presents a comprehensive first-principles-based theoretical framework for evaluating the magnetic parameters used in the Landau–Lifshitz–Gilbert equation. Starting from the magnetic free energy, which is derived using the functional integral method, the exchange constants, magnetic anisotropy constants, and Gilbert damping constants of actual systems are calculated by considering deviations (magnetic excited states) from the corresponding equilibrium states, and the obtained results are reasonable to some extent. To obtain more accurate results, we consider that incorporating spin–lattice interactions both in ground- and excited states is essential. Notably, these interactions are inevitable to investigate magnetostriction.

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Interconnection Between Electronic Structure Calculations and Micromagnetic Equations

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  • 发表日期：

    2025年

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  • Akimasa Sakuma

摘要

This chapter presents a comprehensive first-principles-based theoretical framework for evaluating the magnetic parameters used in the Landau–Lifshitz–Gilbert equation. Starting from the magnetic free energy, which is derived using the functional integral method, the exchange constants, magnetic anisotropy constants, and Gilbert damping constants of actual systems are calculated by considering deviations (magnetic excited states) from the corresponding equilibrium states, and the obtained results are reasonable to some extent. To obtain more accurate results, we consider that incorporating spin–lattice interactions both in ground- and excited states is essential. Notably, these interactions are inevitable to investigate magnetostriction.