相关论文: Magnetic Interactions in BiFeO$_3$: a First-Princi…
The development of new computing technologies has given a new stimulus in the study of multiferroics. The use of multiferroics allows the realization of competitive energy efficient scalable logic and storage devices. The low-power…
We have established detailed magnetoelectric phase diagrams of (Eu$_{0.595}$Y$_{0.405}$)$_{1-x}$Tb$_x$MnO$_3$ ($0 \le x \le 1$) and (Eu,Y)$_{1-x}$Gd$_x$MnO$_3$ ($0 \le x \le 0.69$), whose average ionic radii of $R$-site ($R$: rare earth)…
Motivated by the discovery of multiferroicity in the geometrically frustrated triangular antiferromagnet CuCrO$_2$ below its N\'eel temperature $T_N$, we investigate its magnetic and ferroelectric properties using ab initio calculations and…
Using a Dirac-Heisenberg Hamiltonian with biquadratic exchange interactions, we study the effect of iron disproportionation on the magnetic ordering, and describe the first-order magnetic transition occurring in the perovskite…
We use ab initio electronic structure calculations within the generalized gradient approximation (GGA+U) to density functional theory (DFT) to determine the microscopic exchange interactions in the series of orthorhombic rare-earth…
We investigate the phase diagrams of RMn$_2$O$_5$ via a first-principles effective-Hamiltonian method. We are able to reproduce the most important features of the complicated magnetic and ferroelectric phase transitions. The calculated…
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…
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 investigate the electronic structure and the ferroelectric properties of the recently discovered multiferroic ScFeO$_3$ by means of ab-initio calculations. The $3d$ manifold of Fe in the half-filled configuration naturally favors an…
In this paper, we explore magneteoelectricity of rare earth orthochromites from the symmetry point of view. We determine the principal structural order parameters and find their couplings with ferroelectric and magnetic orderings. Our…
An unexplored physical mechanism which produces a magnetoelectric effect in ferroelectric/ferromagnetic multilayers is studied based on first-principles calculations. Its origin is a change in bonding at the ferroelectric/ferromagnet…
Understanding the multiferroic coupling is one of the key issues in the feld of multiferroics. As shown here theoretically, the ferromagnetic resonance (FMR) renders possible an access to the magnetoelectric coupling coefficient in…
Nonlinear optical (NLO) responses of noncentrosymmetric nonmagnets have drawn a lot of attention in the past decades because of their significance in materials characterization, green energy and device applications. However, the…
We calculate the structural, electronic, and magnetic properties of MnO from first principles, using the full-potential linearized augmented planewave method, with both local-density and generalized-gradient approximations to exchange and…
Magnetic properties of the intermetallic compound NdCo$_2$Si$_2$ are investigated by using the Monte Carlo simulation (MCs) under Metropolis algorithm. The magnetism of the compound is caused by the existence of the rare earth (Nd3+) ions…
In this work, we present electronic and magnetic properties of CaMnO3 (CMO) as obtained from ab initio calculations. We identify the preferable magnetic order by means of density functional theory plus Hubbard U calculations and extract the…
First principles calculations based on the density functional theory within the local spin density approximation plus U(LSDA+U)scheme, show rhombohedral Bi$_2$FeTiO$_6$ is a potential multiferroic in which the magnetism and ferroelectricity…
The two-dimensional van der Waals (vdW) materials MPS_3(M = Mn, Fe, Co, Ni) display antiferromagnetic ordering of the magnetic moments at the transition metal ions. The possibility to exfoliate thin layers that preserve the magnetic order…
We performed inelastic neutron scattering measurements on single crystals of NdFe$_{3}$($^{11}$BO$_{3}$)$_{4}$ to explore the magnetic excitations, to establish the underlying Hamiltonian, and to reveal the detailed nature of hybridization…
The spin dynamics of the geometrically frustrated triangular antiferromagnet multiferroic CuCrO2 have been mapped out using inelastic neutron scattering. The relevant spin Hamiltonian parameters modelling the incommensurate modulated…