论文标题

多尺度建模中自旋晶格耦合的旋转旋转公式

Rotationally invariant formulation of spin-lattice coupling in multi-scale modeling

论文作者

Weißenhofer, Markus, Lange, Hannah, Kamra, Akashdeep, Mankovsky, Sergiy, Polesya, Svitlana, Ebert, Hubert, Nowak, Ulrich

论文摘要

本着多尺度建模的精神,我们开发了一个理论框架,用于旋转晶格耦合,一方面与自旋晶格耦合参数进行了从头开始计算,另一方面,与磁弹性连续性理论相关。衍生的汉密尔顿人描述了一个自旋和晶格自由度的封闭系统,并明确保存了总动量,角动量和能量。使用新的数值实现,该实现纠正了早期的铃木 - 沟通分解,我们根据所得的运动方程进行模拟,以研究铁磁纳米粒子的磁和机械运动,从而验证了我们开发的方法。除了自旋系统的铁磁共振模式外,我们还发现了另一种低频机械响应和根据爱因斯坦 - de-haas效应的粒子旋转。本文开发的框架将使使用多尺度建模来研究和了解从慢速到超快时间尺度的广泛磁机械现象。

In the spirit of multi-scale modeling, we develop a theoretical framework for spin-lattice coupling that connects, on the one hand, to ab initio calculations of spin-lattice coupling parameters and, on the other hand, to the magneto-elastic continuum theory. The derived Hamiltonian describes a closed system of spin and lattice degrees of freedom and explicitly conserves the total momentum, angular momentum and energy. Using a new numerical implementation that corrects earlier Suzuki-Trotter decompositions we perform simulations on the basis of the resulting equations of motion to investigate the combined magnetic and mechanical motion of a ferromagnetic nanoparticle, thereby validating our developed method. In addition to the ferromagnetic resonance mode of the spin system we find another low-frequency mechanical response and a rotation of the particle according to the Einstein-de-Haas effect. The framework developed herein will enable the use of multi-scale modeling for investigating and understanding a broad range of magneto-mechanical phenomena from slow to ultrafast time scales.

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