We present a methodology based on deformations of the unit cell that allows to compute isotropic magnetoelastic constants, magnetostrictive coefficients and spontaneous volume magnetostriction associated exchange magnetostriction. This method is implemented in python package MAELAS (v3.0), so it can be used obtain these quantities by first–principles calculations classical spin–lattice models a...

In the framework of density functional theory, structural and magnetic properties Fe$_{100-x}$Al$_x$ alloys (${5 \leq x 25}$~at.\%) with different order are investigated. Using Korringa-Kohn-Rostoker Green's function method a coherent potential approximation, equilibrium lattice parameters, ground-state energy, shear moduli for D0$_3$, B2, A2 structures calculated. For all structures, optimized...

The work is devoted to the theoretical investigation of quasi-static magnetoelectric interaction in three-layer structures consisting a piezoelectric and two magnetic layers with positive negative magnetostriction. Using system elasto- electrostatics equations for magnetostrictive phases, expressions electrical response structure field are obtained. contributions from longitudinal bending defor...

We have studied the influence of a magnetic field on the thermodynamic properties of Ca2−xSrxRuO4 in the intermediate metallic region with tilt and rotational distortions (0.2 ≤ x ≤ 0.5). We find strong and anisotropic thermal expansion anomalies at low temperatures, which are suppressed and even reversed by a magnetic field. The metamagnetic transition of Ca1.8Sr0.2RuO4 is accompanied by a lar...