Atomistic Spin Dynamics, Theory and Applications

Abstract: The topic of this Thesis is magnetization dynamics on atomic length scales. A computational scheme, Atomistic Spin Dynamics, based on density functional theory, the adiabatic approximation and the atomic moment approximation is presented. Simulations are performed for chemically disordered systems, antiferromagnets and ferrimagnets and also systems with reduced dimensionalityThe autocorrelation function of the archetypical spin glass alloy CuMn is sampled in simulations following a quenching protocol. The aging regime can be clearly identified and the dependence of the relaxation on the damping parameter is investigated. The time evolution of pair correlation and autocorrelation functions has been studied in simulations of the dilute magnetic semiconductor GaMnAs. The dynamics reveal a substantial short ranged magnetic order even at temperatures at or above the ordering temperature. The dynamics for different concentrations of As antisites are discussed.Antiferromagnets offer opportunities for ultrafast switching, this is studied in simulations of an artificial antiferromagnet. For the right conditions, the cooperative effect of applied field torque and and the torque from the other sublattice enables very fast switching. The dynamics of bcc Fe precessing in a strong uniaxial anisotropy are investigated. It is demonstrated that the magnetization can shrink substantially due to a spin wave instability. The dynamics of a two-component model ferrimagnet at finite temperature are investigated. At temperatures where the magnetic system is close to the magnetic and angular momentum compensations points of the ferrimagnet, the relaxation in a uniaxial easy exis anisotropy resembles results in recent experiments on ferrimagnetic resonance.The different cases of uniaxial or colossal magnetic anisotropy in nanowires at different temperatures are compared. The magnon softening in a ferromagnetic monolayer is investigated, giving results that compare well with recent experiments. The effect of lattice relaxation can be treated in first principles calculations. Subsequent simulations captures the softening of magnons caused by reduced dimensionality and temperature.