相关论文: Combined Molecular and Spin Dynamics Simulation of…
Using an atomistic model that simultaneously treats the dynamics of translational and spin degrees of freedom, we perform combined molecular and spin dynamics simulations to investigate the mutual influence of the phonons and magnons on…
In this work, we leverage atomistic spin-lattice simulations to examine how magnetic interactions impact the propagation of sound waves through a ferromagnetic material. To achieve this, we characterize the sound wave velocity in BCC iron,…
Large scale computer simulations are used to elucidate a longstanding controversy regarding the existence, or otherwise, of spin waves in paramagnetic BCC iron. Spin dynamics simulations of the dynamic structure factor of a Heisenberg model…
We study the dynamics of macroscopically-coherent matter waves of an ultra-cold atomic spin-one or spinor condensate on a ring lattice of six sites and demonstrate a novel type of spatio-temporal internal Josephson effect. Using a discrete…
The migration of point defects and formation of spin defects in 3C-SiC were investigated using molecular dynamics simulations, with migration barriers obtained from Nudged Elastic Band (NEB) calculations and finite temperature diffusivities…
We study the dynamics and thermodynamics of one-dimensional spin-orbital models relevant for transition metal oxides. We show that collective spin, orbital, and combined spin-orbital excitations with infinite lifetime can exist, if the…
We introduce a novel approach for the investigation of spin-wave excitations in itinerant ferromagnets. Our theory is based on a variational treatment of general multi-band Hubbard models which describe elements and compounds of transition…
The effects of correlation-induced coupling between spin and charge fluctuations on spin-wave excitations in a band ferromagnet are investigated by including self-energy and vertex corrections within a systematic inverse-degeneracy…
We study the Fe/W(110) monolayer system through a combination of first principles calculations and atomistic spin dynamics simulations. We focus on the dispersion of the spin waves parallel to the [001] direction. Our results compare…
We present a comprehensive analysis of the magnetic excitations and electronic properties of fully quantum double-exchange ferromagnets, i.e., systems where ferromagnetic ordering emerges from the competition between spin, charge, and…
Spin fluctuations have a substantial influence on the electron and lattice behaviors in magnetic materials, which, however, is difficult to be tracked properly by prevalent first-principles methods. We propose a versatile self-adaptive…
Spin dynamics in low dimensional magnetic systems has been of fundamental importance for a long time and has currently received an impetus owing to the emerging field of nanoelectronics. Knowledge of the spin wave lifetimes, in particular,…
Vacancy is one of the most frequent defects in metals. We study the impacts of magnetism on vacancy formation properties in fcc Ni, and in bcc and fcc Fe, via density functional theory (DFT) and effective interaction models combined with…
We investigate the magnon-density waves proposed as the longitudinal excitations in triangular lattice antiferromagnets by including the cubic and quartic corrections in the large-s expansion. The longitudinal excitation spectra for the…
We present a theory for spin excitations in ferromagnetic metallic manganites and demonstrate that orbital fluctuations have strong effects on the magnon dynamics in the case these compounds are close to a transition to an orbital ordered…
Spin dynamics is calculated in the ferromagnetic (FM) state of the generalized Kondo lattice model taking into account strong on-site correlations between e_g electrons and antiferromagnetic (AFM) exchange among t_{2g} spins. Our study…
We extend recently proposed variational coupled-cluster method to describe excitation states of quantum antiferromagnetic bipartite lattices. We reproduce the spin-wave excitations (i.e., magnons with spin $\pm 1$). In addition, we obtain a…
A unified model of molecular and atomistic spin dynamics is presented enabling simulations both in microcanonical and canonical ensembles without the necessity of additional phenomenological spin damping. Transfer of energy and angular…
The effect of spin fluctuations on the $\alpha$ (bcc) - $\gamma$ (fcc) - $\delta$ (bcc) structural phase transitions in iron is investigated with a tight-binding (TB) model. The orthogonal $d$-valent TB model is combined with thermodynamic…
We study the mutual coupling of spin fluctuations and lattice vibrations in paramagnetic CrN by combining atomistic spin dynamics and ab initio molecular dynamics. The two degrees of freedom are dynamically coupled leading to non-adiabatic…