Related papers: Dynamical magnetic charges and linear magnetoelect…
The development of new-generation permanent magnets is based on experimental efforts and innovative theoretical tools for modeling magnetic properties. Magnetocrystalline anisotropy energy (MAE) - one of the main intrinsic properties of…
For the first time, this study shows that distortion in a crystal structure due to magnetic effect is possible in a lattice with extreme chemical disorder. The multicomponent equimolar transition metal oxide (ME TMO), (Co,Cu,Mg,Ni,Zn)O,…
While tremendous success has been achieved to date in creating both single phase and composite magnetoelectric materials, the quintessential electric-field control of magnetism remains elusive. In this work, we demonstrate a linear…
We consider a simple integrable model of a spin chain exhibiting the Magnetoelectric Effect (MEE). Starting from the periodic S=1/2 XXZ-chain with Dzyaloshinskii-Moriya terms, which we consider as a local electric polarization in the spirit…
Based on first-principles calculations, we predict that the magnetic anisotropy energy (MAE) of Co-doped TiO$_2$ sensitively depends on carrier accumulation. This magnetoelectric phenomenon provides a promising route to directly manipulate…
We report first principles density functional calculations of the Born effective charges and electronic dielectric tensors for the relaxor PMN (PbMg1/3Nb2/3O3). Visualization of the Born charge tensors as charge ellipsoids have provided…
We calculate the nature of magnetic interactions in transition-metal doped ZnO using the local spin density approximation and LSDA+\textit{U} method of density functional theory. We investigate the following four cases: (i) single…
Within the context of first principles techniques we present a theoretical and computational framework to quickly determine, at finite momentum, the self-consistent (longitudinal) charge response to an external perturbation, that enters the…
Magnetoelectric (ME) interactions in layered structures of magnetostrictive and piezoelectric phases are mediated by mechanical deformation. Here we discuss the frequency dependence of ME coupling in bilayers and trilayers of Permendur, a…
The efficient coupling between lattice degrees of freedom and spin degrees of freedom in magnetic materials can be used for refrigeration and energy conversion. This coupling is enhanced in materials exhibiting the giant magnetocaloric…
Magnetoelectric (ME) effect has been studied in a structure of a magnetostrictive TbFe2 alloy, two piezoelectric Pb(Zr,Ti)O3 (PZT) ceramics, and two nonmagnetic flakes. The ME coupling originates from the magnetic-mechanical-electric…
We investigate abilities of various linear response based techniques for extracting parameters of antisymmetric Dzyaloshinskii-Moriya (DM) interactions from the first-principles electronic structure calculations. For these purposes, we…
We extend a microscopic theory of polarization and magnetization to include the spin degree of freedom of the electrons, introducing a general spin orbit coupling and Zeeman interaction term in the Hamiltonian. At finite frequencies and…
Frequency dependence of magnetoelectric (ME) coupling is investigated in trilayers of ferromagnetic alloy and piezoelectric lead zirconate titanate (PZT). The ferromagnetic phases studied include permendur, a soft magnet with high…
The exchange-driven contribution to the magnetoelectric susceptibility $\hat\alpha$ is formulated using a microscopic model Hamiltonian coupling the spin degrees of freedom to lattice displacements and electric field, which may be…
Dimers are the smallest chemical objects that show magnetic anisotropy. We focus on 3$d$ and 4$d$ transition metal dimers that have magnetic ground states in most cases. Some of these magnetic dimers have a considerable barrier against…
We screen 4784 stable monolayers from the Computational 2D Materials Database (C2DB) and identify 57 ferromagnetic (FM) and 67 antiferromagnetic (AFM) compounds that should exhibit linear magnetoelectric (ME) effects. Using density…
We derive a sum rule to demonstrate that the static magnetoelectric (ME) effect is governed by optical transitions that are simultaneously excited via the electric and magnetic components of light. By a systematic analysis of magnetic point…
We report on a theoretical study of electromagnetic properties of zigzag magnesium oxides nanoribbons (Z-MgONRs). We propose that the polar charges and the spin polarization are the two key factors for edge magnetism. Based on…
We have developed a fully microscopic theory of magnetic properties of the prototype molecular magnet Mn12. First, the intra-molecular magnetic properties have been studied by means of first-principles density functional-based methods, with…