Related papers: Magnetic Interactions in BiFeO$_3$: a First-Princi…
Revealing the spin excitations of complex quantum magnets is key to developing a minimal model that explains the underlying magnetic correlations in the ground state. We investigate the low-energy magnons in $\alpha$-RuCl$_3$ by combining…
Transition metal oxides (TMOs) exhibit many emergent phenomena ranging from high-temperature superconductivity and giant magnetoresistance to magnetism and ferroelectricity. In addition, when TMOs are interfaced with each other, new…
We discuss relative roles played by the magnetic inversion symmetry breaking and the ferroelectric (FE) atomic displacements in the multiferroic state of YMnO3. For these purposes we derive a realistic low-energy model, using results of…
We carry out a completely first-principles study of the ferroelectric phase transitions in BaTiO$_3$. Our approach takes advantage of two features of these transitions: the structural changes are small, and only low-energy distortions are…
The spin-1/2 Heisenberg model is formulated in terms of a mean-field approximation (MFA) by using the matrix forms of spin operators $\hat{S}_x,\hat{S}_y$ and $\hat{S}_z$ in three-dimensions. The considered Hamiltonian consists of bilinear…
We calculate the magnetic interactions between two nearest neighbor substitutional magnetic ions (Co or Mn) in ZnO by means of density functional theory and compare it with the available experimental data. Using the local spin density…
Atomistic spin models have found enormous success in addressing the properties of magnetic materials, grounded on the identification of the relevant underlying magnetic interactions. The huge development in the field of magnetic skyrmions…
The ferroelectric order and magnetic field induced effects observed in the spiral phase of MnWO4 are described theoretically. It is demonstrated explicitly that the Dzyaloshinskii-Moriya antisymmetric interactions contribute to the…
We report on a study of the electronic and magnetic properties of the triangular antiferromagnetic $\{Cu_3\}$ single-molecule magnet, based on spin density functional theory. Our calculations show that the low-energy magnetic properties are…
We present a detailed study of the structural, electronic, magnetic and ferroelectric properties of prototypical \textit{proper} and \textit{improper} multiferroic (MF) systems such as BiFeO$_{3}$ and orthorhombic HoMnO$_{3}$, respectively,…
We study the electrical behavior of multiferroic BiFeO$_3$ by means of first-principles calculations. We do so by constraining a specific component of the electric displacement field along a variety of structural paths, and by monitoring…
Multiferroism can originate from the breaking of inversion symmetry caused by magnetic-spiral order. The usual mechanism for stabilizing a magnetic spiral is competition between magnetic exchange interactions differing by their range and…
Dzyaloshinskii-Moriya interaction, DMI in short, represents an antisymmetric type of magnetic interactions that favour orthogonal orientation of spins and competes with Heisenberg exchange. Being introduced to explain weak ferromagnetism in…
Co-doped ZnO is the prototypical dilute magnetic oxide showing many of the characteristics of ferromagnetism. The microscopic origin of the long range order however remains elusive, since the conventional mechanisms for the magnetic…
Magnetic structures are investigated by means of neutron diffraction to shine a light on the intricate details that are believed to be key to understanding the magnetoelectric effect in LiCoPO$_4$ . At zero field, a spontaneous spin canting…
We have studied the magnetodielectric and magnetoelastic coupling in TbFe3(BO3)4 single crystals by means of capacitance, magnetostriction and Raman spectroscopy measurements. The data reveal strong magnetic field effects on the dielectric…
We have presented the synthesis, structural, and magnetic properties from the experimental point of view. Then we verified our experimental observation by studying the electronic and magnetic properties of Al-doped LaMnO3 from the first…
We present a numerical study of the magnetic structure of nanostructured iron fluoride, using the Monte-Carlo-Metropolis simulated annealing technique and a classical Heisenberg Hamiltonian with a superexchange angle dependence. The…
Recently experimental techniques, such as magnetic force microscopy (MFM), have enabled the magnetic state of individual sub-micron particles to be resolved. Motivated by these experimental developments, we use Monte Carlo simulations of…
The magnetic interactions that determine magnetic order and magnon energies typically involve only two spins. While rare, multi-spin interactions can also appear in quantum magnets and be the driving force in the ground state selection and…