Related papers: Reliability and applicability of magnetic force li…
We present an alternative formalism for modeling spin. The ontological elements of this formalism are base-2 sequences of length $n$. The machinery necessary to model physics is then developed by considering correlations between base-2…
We are reinvestigating the hyperfine structure of sodium using a fully relativistic multiconfiguration approach. In the fully relativistic approach, the computational strategy somewhat differs from the original nonrelativistic counterpart…
The correlation kinetic equation approach is developed that allows describing spin correlations in a material with hopping transport. The quantum nature of spin is taken into account. The approach is applied to the problem of the bipolaron…
We critically reexamine the problem of interatomic exchange interactions, which describe the total energy change caused by infinitesimal rotations of spins near some equilibrium state. For the small variations, such interactions can be…
Spin-wave excitations are fundamental to understanding the behavior of magnetic materials and hold promise for future information and communication technologies. Yet, modeling these accurately in transition-metal compounds remains…
An efficient method to compute magnetic exchange interactions in systems with strong correlations is introduced. It is based on a magnetic force theorem which evaluates linear response due to rotations of magnetic moments and uses a novel…
While the ground state of magnetic materials is in general well described on the basis of spin density functional theory (SDFT), the theoretical description of finite-temperature and non-equilibrium properties require an extension beyond…
In previous works, a squared mass operator M^2 and a more common centre of frame Hamiltonian H_CM for the quark-antiquark system were obtained by using the only assumption that ln W (W being the Wilson loop correlator) can be written in QCD…
A many body Hamiltonian comprising pairing, quadrupole-quadrupole and spin-spin interaction is treated within a projected spherical basis with the aim of describing the detailed structure of the magnetic states of orbital and spin-flip…
In this Letter we report the LDA+DMFT (method combining Local Density Approximation with Dynamical Mean-Field Theory) results for magnetic properties of parent superconductor LaFeAsO in paramagnetic phase. Calculated uniform magnetic…
We have utilized the resonant x-ray diffraction technique at the Mn L-edge in order to directly compare magnetic and orbital correlations in the Mn sub-lattice of Pr0.6Ca0.4MnO3. The resonant line shape is measured below T_OO ~ 240 K at the…
The backreaction of the Lorentz force on the alpha-effect is studied in the limit of small magnetic and fluid Reynolds numbers, using the first order smoothing approximation (FOSA) to solve both the induction and momentum equations. Both…
The Radical Pair Mechanism is a canonical model for the magnetosensitivity of chemical reaction processes. The key ingredient of this model is the hyperfine interaction that induces a coherent mixing of singlet and triplet electron spin…
The linear response theory is used to describe magnetoresistance oscillations of short-period unilateral superlattices with strong modulation (or alternatively arrays of coupled quantum wires). The semiclassical description of this system…
The ``magnetic force theorem'' is frequently used to compute exchange interaction parameters and adiabatic spin-wave spectra of ferromagnets. The interest of this approach is that it allows to obtain these results from a non-self-consistent…
We investigate the feasibility of the macrospin approximation to account for the actual shape of soft magnetic nanoparticles (MNPs) with realistic geometries. Specifically focusing on magnetite, we use the superellipsoidal parametrisation…
We developed a method for fitting machine-learning interatomic potentials with magnetic degrees of freedom, namely, magnetic Moment Tensor Potentials (mMTP). The main feature of our method consists in fitting mMTP to magnetic forces…
In first-principles calculations, hybrid functional is often used to improve accuracy from local exchange correlation functionals. A drawback is that evaluating the hybrid functional needs significantly more computing effort. When…
Natural orbital functional theory is considered for systems with one or more unpaired electrons. An extension of the Piris natural orbital functional (PNOF) based on electron pairing approach is presented, specifically, we extend the…
A scheme to calculate the electronic structure of systems having a spiral magnetic structure is presented. The approach is based on the KKR (Korringa-Kohn-Rostoker) Green's function formalism which allows in combination with CPA (Coherent…