相关论文: Dynamical magnetic charges and linear magnetoelect…

We measure the full elastic tensors of Mn$_3$Ge and Mn$_3$Sn as a function of temperature through their respective antiferromagnetic phase transitions. Large discontinuities in the bulk moduli at the N\'eel transitions indicate strong…

Magnetic excitations in a weakly coupled spin dimers and chains compound Cu2Fe2Ge4O13 are measured by inelastic neutron scattering. Both structure factors and dispersion of low energy excitations up to 10 meV energy transfer are well…

In light of the potential use of single-molecule magnets (SMMs) in emerging quantum information science initiatives, we report first-principles calculations of the magnetic exchange interactions in [$\mathrm{Mn}_{3}$]$_{2}$ dimers of…

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,…

Magnetic tunnel junction (MTJ) based on CoFeB/MgO/CoFeB structures is of great interest due to its application in the spin-transfer-torque magnetic random access memory (STT-MRAM). Large interfacial perpendicular magnetic anisotropy (PMA)…

The transverse and longitudinal magnetoelectric susceptibilities (MES) were quantitatively determined for (001) heteroepitaxial BiFeO$_{3}$-CoFe$_{2}$O$_{4}$ nanostructures. Both of these MES values were sharply enhanced at magnetic fields…

To understand the effect of molecular environment on the electronic and magnetic properties of the single-molecule magnet (SMM) Mn$_{12}$, we explore two possible means for adding extra electrons to molecule. We explore both substitution of…

Electronic structure calculations of the Verwey ground state of magnetite, Fe3O4, using density functional theory with treatment of on-site Coulomb interactions (DFT+U scheme) are reported. These calculations use the recently-published…

We compute the magnetic susceptibility and specific heat of the spin-1/2 Heisenberg model on the kagome lattice with high-temperature expansions and exact diagonalizations. We compare the results with the experimental data on ZnCu3(OH)6Cl2…

Due to the resource criticality of rare-earths (RE), an alternative to the well-known Nd$_2$Fe$_{14}$B magnets with a lower amount of critical elements is required. In this work, density functional theory (DFT) calculations to investigate…

We present our calculation results for organic magnetic electrides. In order to identify the `cavity' electrons, we use maximally-localized Wannier functions and `empty atom' technique. The estimation of magnetic coupling is then performed…

A model of magnetic interactions in the ordered ferromagnetic FePt is proposed on the basis of first-principles calculations of non-collinear magnetic configurations and shown to be capable of explaining recent measurements of magnetic…

The magnetization and electric polarization of a polar antiferromagnet Fe$_2$Mo$_3$O$_8$ are studied up to 66 T for spin-saturation magnetic fields applied along the polar axis. The magnetization process at 1.4 K exhibited multistep…

We study the magnetocaloric effect (MCE) in spin clusters of six spins with site spins $s=1$, $3/2$ and $2$ for different exchange anisotropies. We also study MCE in an assembly of spin clusters, on a chain, a 2-D square lattice and 3-D…

The electronic structural properties in the presence of constrained magnetization and a charged background are studied for a monolayer of FeSe in non-magnetic, checkerboard-, and striped-antiferromagnetic (AFM) spin configurations. First…

The linear magnetoelectric response of Cr2O3 at zero temperature is calculated from first principles by tracking the change in magnetization under a macroscopic electric field. Both the spin and the orbital contributions to the induced…

Magnetics, ferroelectrics and multiferroics have attracted great attentions because they are not only extremely important for investigating fundamental physics, but also have important applications in information technology. Here, recent…

Born dynamical charges ($\textbf{Z}^\text{dyn}$) play a key role in the lattice dynamics of most crystals, including both insulators and metals in the nonadiabatic ("clean") regime. Very recently, the so-called static Born charges,…

We provide a simple physical proof of the reciprocity theorem of classical electrodynamics in the general case of material media that contain linearly polarizable as well as linearly magnetizable substances. The excitation source is taken…

In this study, we considered a large set of materials that are closely related to orthorhombic Fe$_3$C (cementite) with the aim of characterizing trends in their intrinsic magnetic properties and identifying alloys that are optimal for…