Related papers: Spin-lattice interaction parameters from first pri…
Atomistic simulations hold significant value in clarifying crucial phenomena such as phase transitions and energy transport in materials science. Their success stems from the presence of potential energy functions capable of accurately…
We consider spin dynamics for implementation in an atomistic framework and we address the feasibility of capturing processes in the femtosecond regime by inclusion of moment of inertia. In the spirit of an {\it s-d} -like interaction…
In multicomponent lattice problems, e.g., in alloys, and at crystalline surfaces and interfaces, atomic arrangements exhibit spatial correlations that dictate the kinetic and thermodynamic phase behavior. These correlations emerge from…
Recent developments of high-order CCM have been to extend existing formalism and codes to $s \ge \frac 12$ for both the ground and excited states. In this article, we describe how "generalised" expectation values for a wide range of one-…
We apply the microscopic coupled-cluster method (CCM) to the spin-$1\over2$ $XXZ$ models on both the one-dimensional chain and the two-dimensional square lattice. Based on a systematic approximation scheme of the CCM developed by us…
In many cases, the relativistic spin-orbit (SO) interaction is regarded to be small and can be treated using perturbation theory. The major obstacle on this route comes from the fact that the SO interaction can also polarize the electron…
In the paper a self-consistent theoretical description of the lattice and magnetic properties of a model system with magnetoelastic interaction is presented. The dependence of magnetic exchange integrals on the distance between interacting…
We present an atomistic model of a single nanoparticle with core/shell structure that takes into account its lattice strucutre and spherical geometry, and in which the values of microscopic parameters such as anisotropy and exchange…
We investigate the optical and quantum mechanical properties of a charged spinless particle confined in a two-dimensional quantum ring under the simultaneous influence of a spiral dislocation and an external magnetic field. The dislocation…
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 study the dynamics of spin-1 atoms in a periodic optical-lattice potential and an external magnetic field in a quantum quench scenario where we start from a superfluid ground state in a shallow lattice potential and suddenly raise the…
We use the coupled cluster method (CCM) to study the ground-state properties and lowest-lying triplet excited state of the spin-half {\it XXZ} antiferromagnet on the square lattice. The CCM is applied to it to high orders of approximation…
The study of slope parameter is presented for elastic proton-proton and antiproton-proton scattering with taking into account the resent experimental data at high energies. The expanded logarithmic approximations allow the description of…
Quantum statistics and symmetrization dictate that identical fermions do not interact via s-wave collisions. However, in the presence of spin-orbit coupling (SOC), fermions prepared in identical internal states with distinct momenta become…
The effect of cooling on a number of observables is calculated in SU(2) lattice gauge theory. The static quark-antiquark potential and spin-dependent interactions are studied, and the topological charge is monitored. The chiral symmetry…
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…
We study spin-$S$ Ising models with $p$-spin interactions on the one-dimensional chain and the two-dimensional square lattice. Here, $S$ denotes the magnitude of the spin and $p$ represents the number of spins involved in each interaction.…
The statistical properties of ensemble of disordered 1D steric spin-chains (SSC) of various length are investigated. Using 1D spin-glass type classical Hamiltonian, the recurrent trigonometrical equations for stationary points and…
Pressure-induced phase transitions of spin-crossover materials were simulated by a Monte Carlo simulation in the constant pressure ensemble for the first time. Here, as the origin of the cooperative interaction, we adopt elastic interaction…
We theoretically investigate spin-lattice coupling (SLC) effects on the in-field ordering properties of classical Heisenberg antiferromagnets on the breathing pyrochlore lattice. Here, we use the two possible simplified models describing…