Related papers: Benchmarking First-Principles Approaches for Extra…
In this paper we present a method to accurately compute the energy of the magnetostatic interaction between linearly (or uniformly, as a special case) magnetized polyhedrons. The method has applications in finite element micromagnetics, or…
Using a first-principles Green's function approach we study magnetic properties of the magnetic binary chalcogenides Bi2Te3, Bi2Se3, and Sb2Te3. The magnetic coupling between transition-metal impurities is long-range, extends beyond a…
It was realized two decades ago that the two-dimensional diffusive Fermi liquid phase is unstable against arbitrarily weak electron-electron interactions. Recently, using the nonlinear sigma model developed by Finkelstein, several authors…
First-principles calculations have been performed for the exchange interaction and exchange force between two magnetic Fe(100) thin films. It is shown that the magnitude of the calculated exchange force is of the order of $10^{-9} $N at…
Various applications ranging from spintronic devices, giant magnetoresistance sensors, and magnetic storage devices, include magnetic parts on very different length scales. Since the consideration of the Landau-Lifshitz-Gilbert equation…
The marked interplay between the crystalline, electronic, and magnetic structure of atomically thin magnets has been regarded as the key feature for designing next-generation magneto-optoelectronic devices. In this respect, a detailed…
Jahn-Teller (JT) systems with strong and intermediate vibronic coupling are described in terms of local JT active vibrational modes. In JT crystals, the elastic interaction of these modes at different JT centers plays a crucial role, for…
We calculate Heisenberg-type magnetic exchange interactions for SrMnO$_3$ under isotropic volume expansion using an approach that is based on total energy variations due to infinitesimal spin rotations around a given reference state. Our…
We employ a first-principles lattice-gas Hamiltonian (LGH) approach to determine the lateral interactions between O atoms adsorbed on the Pd(100) surface. With these interactions we obtain an ordering behavior at low coverage that is in…
We present a computational investigation of the intramolecular exchange coupling in [LnPc$_2$]$^0$ (Ln = Tb, Dy, Ho, and Er) between the Ln$^{3+}$ 4f electrons and the spin-1/2 radical on the phthalocyanine ligands. A series of ab initio…
We unify the method of exchange perturbation theory for multicenter systems. For the case of exchange degeneracy in the total spin of the system we give a secular equation that is more compact and convenient for calculations than those…
High-fidelity numerical simulation serves as a cornerstone for exploring magnetization dynamics in micromagnetics. This work introduces a novel third-order temporally accurate and stable numerical scheme for the Landau-Lifshitz-Gilbert…
In recent years, the optical control of exchange interactions has emerged as an exciting new direction in the study of the ultrafast optical control of magnetic order. Here we review recent theoretical works on antiferromagnetic systems,…
First principles density functional theory based calculations have been carried out to predict the effects of Mn replacement by Fe and Cr on electronic as well as magnetic properties of Pt$_{2}$MnGa as well as Ni$_{2}$MnGa. All the…
Exchange interactions determine the correlations between microscopic spins in magnetic materials. Probing the dynamics of these spin correlations on ultrashort length and time scales is, however rather challenging, since it requires…
Magnetic exchange interactions (MEIs) define networks of coupled magnetic moments and lead to a surprisingly rich variety of their magnetic properties. Typically MEIs can be estimated by fitting experimental results. But how many MEIs need…
After the discovery of the phenomena of light-induced excited spin state trapping (LIESST), the functional properties of metal complexes have been studied intensively. Among them, cooperative phenomena involving low spin-high spin…
Optimal exploitation of supercomputing resources for the evaluation of electrostatic forces remains a challenge in molecular dynamics simulations of very large systems. The most efficient methods are currently based on particle-mesh Ewald…
In periodic systems, the Hartree-Fock (HF) exchange energy exhibits the slowest convergence of all HF energy components as the system size approaches the thermodynamic limit. We demonstrate that the recently proposed staggered mesh method…
We identify qualitative trends in the stacking sequence dependence of carrier-carrier interaction phenomena in multilayer graphene. Our theory is based on a new approach which explicitly exhibits the important role in interaction phenomena…