Related papers: Collective dynamics in atomistic models with coupl…
Utilizing an atomistic computational model which handles both translational and spin degrees of freedom, combined molecular and spin dynamics simulations have been performed to investigate the effect of vacancy defects on spin wave…
In recent years, the fundamental physics of spin-thermal (i.e., magnon-phonon) interaction has attracted significant experimental and theoretical interests given its potential paradigm-shifting impacts in areas like spin-thermoelectrics,…
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…
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,…
We investigate the spin dynamics of excitons interacting with acoustic phonons in quantum wells, quantum wires and quantum disks by employing a multiband model based on the $4\times4$ Luttinger Hamiltonian. We also use the Bir-Pikus…
While the vibrational thermodynamics of materials with small anharmonicity at low temperatures has been understood well based on the harmonic phonons approximation; at high temperatures, this understanding must accommodate how phonons…
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 occurrence of bcc-fcc ($\alpha$-$\gamma$) and fcc-bcc ($\gamma$-$\delta$) phase transitions in magnetic iron stems from the interplay between magnetic excitations and lattice vibrations. However, this fact has never been proven by a…
Inspired by the models of A. Rebei and G. J. Parker and A. Rebei et. al., we study a physical model which describes the behaviour of magnetic moments in a ferromagnet. The magnetic moments are associated to 3d electrons which interact with…
We have performed extensive ab initio calculations to investigate phonon dynamics and their possible role in superconductivity in BaFe2As2 and related systems. The calculations are compared to inelastic neutron scattering data that offer…
This first-principles study investigates the structural, electronic, lattice dynamical properties, and electron-phonon coupling in ferromagnetic cubic B20 FeGe under applied pressure. The implemented spin-scaling exchange-correlation (ssxc)…
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…
In conventional \textit{ab initio} methodologies, phonons are calculated by solving equations of motion involving static interatomic force constants and atomic masses. The Born-Oppenheimer approximation, where all electronic degrees of…
We analyze resonant magneto-elastic interactions between standing perpendicular spin wave modes (exchange magnons) and longitudinal acoustic phonon modes in free-standing hybrid metal-ferromagnet bilayer and trilayer structures. Whereas the…
The search for fractionalization in quantum spin liquids largely relies on their decoupling with the environment. However, the spin-lattice interaction is inevitable in a real setting. While the Majorana fermion evades a strong decay due to…
The dynamics and thermal equilibrium of spin waves (magnons) in a quantum ferromagnet as well as the macroscopic magnetisation are investigated. Thermal noise due to an interaction with lattice phonons and the effects of spatial…
We compute lattice dynamical properties of iron at the bcc-fcc phase transition using dynamical mean-field theory implemented with the frozen-phonon method. Electronic correlations are found to have a strong effect on the lattice stability…
We investigate the transient effects occurring in a molecular quantum dot described by an Anderson-Holstein Hamiltonian which is instantly coupled to two fermionic leads biased by a finite voltage. In the limit of weak electron-phonon…
Using a combination of first-principles and magnetization-dynamics calculations, we study the effect of the intense optical excitation of phonons on the magnetic behavior in insulating magnetic materials. Taking the prototypical…
In this work, we study magnetoelastic interactions by means of ultrasound experiments in $\alpha$-RuCl$_3$ -- a prototypical material for the Kitaev spin model on the honeycomb lattice, with a possible spin-liquid state featuring Majorana…