相关论文: Automated calculations of exchange magnetostrictio…
We present a simple methodology to compute the spontaneous volume magnetostriction with first-principles calculations on the basis of the magnetoelastic energy. This method makes use of deformations of the unit cell only at the…
In this work, we present the program MAELAS to calculate magnetocrystalline anisotropy energy, anisotropic magnetostrictive coefficients and magnetoelastic constants in an automated way by Density Functional Theory calculations. The program…
MAELAS is a computer program for the calculation of magnetocrystalline anisotropy energy, anisotropic magnetostrictive coefficients and magnetoelastic constants in an automated way. The method originally implemented in version 1.0 of MAELAS…
We present a computational method to determine the exchange constants in isotropic spin models. The method uses the Hamiltonian and overlap matrices computed from density functional schemes that are based on nonorthogonal basis sets. We…
Small magnetic particles placed in a relatively soft polymer (with elastic modulus E ~ 10-100 kPa) are magnetically soft elastomers. The external magnetic field acts on each particle which leads to microscopic deformation of the material…
We develop the phenomenological theory for uniaxial ferromagnets, and derive explicit formulae for their magnetostriction (MS) and magnetic anisotropy energy (MAE) generated by the magnetoelastic (ME) effects. An analysis of the…
Accurate simulations of isotropic permanent magnets require to take the magnetization process into account and consider the anisotropic, nonlinear, and hysteretic material behaviour near the saturation configuration. An efficient method for…
An ab initio study of magnetic exchange interactions in antiferromagnetic and strongly correlated 3d transition metal monoxides is presented. Their electronic structure is calculated using the local self-interaction correction approach,…
We investigate the possibility of realizing a spintronic memristive device based on the dependence of the tunnel conductance on the relative angle between the magnetization of the two magnetic electrodes in in-plane magnetized tunnel…
We analyze the magnetostriction effect occurring in the magneto-sensitive elastomers (MSEs) containing inhomogeneously magnetized particles. As it was shown before, the expression for the interaction potential between two magnetic spheres,…
In this contribution a magnetoactive elastomer (MAE) of mixed content, i.e., a polymer matrix filled with a mixture of magnetically soft and magnetically hard spherical particles, is considered. The object we focus at is an elementary unit…
We introduce a theoretical framework for computaions of anisotropic multipolar exchange interactions found in many spin--orbit coupled magnetic systems and propose a method to extract these coupling constants using a density functional…
Anisotropic barostats are employed to carry out Molecular Dynamics simulations where the volume is allowed to fluctuate with no constraints on the shape of the simulation cell. Most of these algorithms are based on second-order differential…
We present a theoretical approach to calculate the molecular magnetic anisotropy parameters, $D_M$ and $E_M$ for single molecule magnets in any eigenstate of the exchange Hamiltonian, treating the anisotropy Hamiltonian as a perturbation.…
The (inverse) magnetostrictive effect in ferromagnets couples the magnetic properties to the mechanical stress, allowing for an interaction between the magnetic and mechanical degrees of freedom. In this work, we present a time-integration…
We present a methodology based on the N\'{e}el model to build a classical spin-lattice Hamiltonian for cubic crystals capable of describing magnetic properties induced by the spin-orbit coupling like magnetocrystalline anisotropy and…
In this paper, we examine the magnetoelectric response of Ising pyrochlores, focusing on both the ordered antiferromagnetic state and the frustrated ferromagnetic case known as "spin-ice". We employ a model which accounts for magnetoelastic…
We present a formalism for computing the complexity of metastable states and the zero-temperature magnetic hysteresis loop in the soft-spin random-field model in finite dimensions. The complexity is obtained as the Legendre transform of the…
A simple lattice model that allows hysteresis loops with exchange bias to be reproduced is presented. The model is based on the metastable Random Field Ising model, driven by an external field, with synchronous local relaxation dynamics.…
The width of the magnetic hysteresis loop is often correlated with the material's magnetocrystalline anisotropy constant $\kappa_1$. Traditionally, a common approach to reduce the hysteresis width has been to develop alloys with $\kappa_1$…