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A scheme is presented to calculate on a first-principles level the spin-lattice coupling (SLC) parameters needed to perform combined molecular-spin dynamics (MSD) simulations. By treating changes to the spin configuration and atomic…

Materials Science · Physics 2023-05-03 Sergiy Mankovsky , Hannah Lange , Svitlana Polesya , Hubert Ebert

A coupled atomistic spin and lattice dynamics approach is developed which merges the dynamics of these two degrees of freedom into a single set of coupled equations of motion. The underlying microscopic model comprises local exchange…

Materials Science · Physics 2018-01-24 J. Fransson , D. Thonig , P. F. Bessarab , S . Bhattacharjee , J. Hellsvik , L. Nordström

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…

We formulate a new scheme to study the combined magnetization and lattice dynamics in magnets, so-called magnetoelastics. The coupling between magnetization and lattice are considered through an expansion of electron-phonon coupling, while…

Materials Science · Physics 2015-06-02 S. Bhattacharjee , J. Fransson

Recently, the interplay between spin and lattice degrees of freedom has gained a lot of attention due to its importance for various fundamental phenomena as well as for spintronic and magnonic applications. Examples are ultrafast angular…

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…

We propose a powerful extension to combined molecular and spin dynamics that fully captures the coupling between the atomic and spin subsystems via spin-orbit interactions. Its foundation is the inclusion of the local magnetic anisotropies…

Materials Science · Physics 2016-12-28 Dilina Perera , Markus Eisenbach , Don M. Nicholson , G. Malcolm Stocks , David P. Landau

We develop a complete relativistic theory to describe the dynamics of electronic angular momentum including both spin (S) and orbital (L) contributions in magnetic systems. We start with the relativistic Dirac-Kohn-Sham Hamiltonian under…

Other Condensed Matter · Physics 2026-05-19 Subhadip Santra , Ritwik Mondal , Marco Berritta , Peter M. Oppeneer

We present a computationally efficient general first-principles based method for spin-lattice simulations for solids. Our method is based on a combination of atomistic spin dynamics and molecular dynamics, expressed through a spin-lattice…

Since thermal fluctuations become more important as dimensions shrink, it is expected that low-dimensional magnets are more sensitive to lattice distortions and phonons than bulk systems are. Here we present a fully relativistic…

Materials Science · Physics 2022-04-06 Banasree Sadhukhan , Anders Bergman , Yaroslav O. Kvashnin , Johan Hellsvik , Anna Delin

We describe a general technique that allows to induce and control strong interaction between spin states of neighboring atoms in an optical lattice. We show that the properties of spin exchange interactions, such as magnitude, sign, and…

Soft Condensed Matter · Physics 2009-11-07 L. -M. Duan , E. Demler , M. D. Lukin

Laboratory optics, typically dealing with monochromatic light beams in a single reference frame, exhibits numerous spin-orbit interaction phenomena due to the coupling between the spin and orbital degrees of freedom of light. Similar…

Optics · Physics 2018-04-18 D. A. Smirnova , V. M. Travin , K. Y. Bliokh , F. Nori

Photons carry one unit of angular momentum associated with their spin~\cite{Beth1936}. Structured vortex beams carry additional orbital angular momentum which can also be transferred to matter~\cite{Allen1992}. This extra twist has been…

Recent interest in orbital angular momentum has led to a rapid expansion of research on spin-orbit coupling effects in solids, while also highlighting significant technical challenges. The breaking of rotational symmetry renders the orbital…

Mesoscale and Nanoscale Physics · Physics 2025-07-16 Bumseop Kim , Noejung Park , Kyoung-Whan Kim

Coupled, dynamical spin-lattice models provide a unique test ground for simulations investigating the finite-temperature magnetic properties of materials under the direct influence of the lattice vibrations. These models are constructed by…

Statistical Mechanics · Physics 2016-12-28 Dilina Perera , Thomas Vogel , David P. Landau

The total angular momentum of a close system is a conserved quantity, which should remain constant in time for any excitation experiment once the pumping signal has extinguished. Such conservation, however, is never satisfied in practice in…

Mesoscale and Nanoscale Physics · Physics 2022-04-13 Jacopo Simoni , Stefano Sanvito

We propose an easy to use model to solve for interacting atoms in an optical lattice. This model allows for the whole range of weakly to strongly interacting atoms, and it includes the coupling between relative and center-of-mass motion via…

Other Condensed Matter · Physics 2008-07-01 Johan Mentink , Servaas Kokkelmans

Interactions between the different degrees of freedom form the basis of many manifestations of intriguing physics in condensed matter. In this respect, quantifying the dynamics of normal modes that themselves arise from these interactions…

Following the very recent experimental realisation of electron vortices, we consider their interaction with matter, in particular the transfer of orbital angular momentum in the context of electron energy loss spectroscopy, and the recently…

Quantum Physics · Physics 2015-06-03 Sophia Lloyd , Mohamed Babiker , Jun Yuan

Magnetic materials play a key role in the contemporary industry, providing unique features with a wide application potential. To study physical phenomena and design new materials, it is important to possess an appropriate tool, a model…

Materials Science · Physics 2026-01-13 Jakub Šebesta , Dominik Legut
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