相关论文: First-principles approach to lattice-mediated magn…
Recent x-ray absorption experiments have demonstrated the possibility to accurately monitor the magnetism of metallic hetero-structures controlled via a time-independent perturbation caused for example by a static electric field. Using a…
Density functional based simulations are employed to explore magnetoelectric effects in iron-based oxides, showing a unique layered structure. We theoretically predict CaFeO2 to be a promising magnetoelectric, showing…
We present a thorough density functional theory study of the magneto-electric (ME) effect in Cr$_{2}$O$_{3}$. The spin-lattice ME tensor $\alpha$ was determined in the low-field and spin flop (SF) phases, using the method of dynamical…
Extrinsic multiferroic hybrid structures consisting of ferromagnetic and ferroelectric layers elastically coupled to each other are promising due to their robust magnetoelectric effects even at room temperature. For a quantitative analysis…
The magnetoelectric effect in the system $RAl_3(BO_3)_4$ ($R$ = Tb, Ho, Er, Tm) is investigated between 3 K and room temperature and at magnetic fields up to 70 kOe. We show a systematic increase of the magnetoelectric effect with…
We present a computationally efficient general first-principles based method for spin-lattice simulations for solids. Our method is based on a combination of atomistic spin dynamics and molecular dynamics, expressed through a spin-lattice…
By virtue of the itinerant electron metamagnetism (IEM), the RCo2 compounds with R=Er, Ho and Dy are found to show first order magnetic transition at their ordering temperatures. The inherent instability of Co sublattice magnetism is…
We consider the magnetoelectric effect produced by a capacitor formed by two semispherical perfectly conducting plates subjected to a potential difference and surrounded by a spherical shell of a topologically insulating material. The…
We exploit the magnetic interlayer coupling in La0.7Sr0.3MnO3/SrRuO3 superlattices to realize a crossover between inverse and conventional magnetic entropy changes. Our data reveal a strong anisotropic nature of the magnetocaloric effect…
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 introduce a new linear response method to study the lattice dynamics of materials with strong correlations. It is based on a combination of dynamical mean field theory of strongly correlated electrons and the local density functional…
The linear magnetoelectric effect was measured in 500 nm Cr2O3 films grown by rf sputtering on Al2O3 substrates between top and bottom thin film Pt electrodes. Magnetoelectric susceptibility was measured directly by applying an AC electric…
We present a theoretical examination of the magneto-electric response in the recently discovered multiferroic insulator Cu$_2$OSeO$_3$. Combining Monte Carlo simulation and Ginzburg-Landau analysis we predict the response in each of the…
The low energy effective field model for the multilayer graphene (at ABC stacking) is considered. We calculate the effective action in the presence of constant external magnetic field $B$ (normal to the graphene sheet). We also calculate…
We present details of our effective computational methods based on the real-space finite-difference formalism to elucidate electronic and magnetic properties of the two-dimensional (2D) materials within the framework of the density…
The direct magnetoelectric (ME) effect mediated by lattice strains induced in a ferroelectric film by a ferromagnetic substrate is evaluated using first-principles-based calculations. To that end, the strain sensitivity of ferroelectric…
The electronic valence state of Mn in Pb(Zr0.2Ti0.8)O3/La0.8Sr0.2MnO3 multiferroic heterostructures is probed by near edge x-ray absorption spectroscopy as a function of the ferroelectric polarization. We observe a temperature independent…
We present a scheme to construct model potentials, with parameters computed from first principles, for large-scale lattice-dynamical simulations of materials. Our method mimics the traditional solid-state approach to the investigation of…
Lattice dynamics for several ordered supercells with composition PbMg1/3Nb2/3O (PMN) were calculated with first-principles frozen phonon methods. Nominal symmetries of the supercells studied are reduced by lattice instabilities. Lattice…
Multiferroic materials exhibit the coexistence of magnetic and electric order. They are at the forefront of modern condensed matter physics due to their potential applications in next-generation technologies such as data storage, sensors,…