Abstract
To understand the nature of magnetic instabilities of atomic components, e.g., magnetization reversal or domain switching, as an origin of failure of magnetic devices, it is essential to evaluate a critical condition where the magic ordering collapses. In this study, we developed an analytical method to describe the magnetic instability criterion for arbitrary atomic structures based on the spin-lattice dynamics concept. According to the proposed method, the magnetic instability occurs when the minimum eigenvalue of the Hessian matrix of the potential energy reaches zero. The corresponding eigenvector indicates the displacement of magnetic structure at the instability. We applied the method to iron bulk that initially magnetized in the [001] direction under external magnetic fields, and it can successfully describe the onset of instability as well as their change in magnetic moment vectors. These clearly indicate the validity of the proposed method.
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