Related papers: Magnetoelastic coupling in iron
We investigate magnetic properties of a two-dimensional periodic structure with Ising spins and antiferromagnetic nearest neighbor interaction. The structure is topologically equivalent to the Archimedean (3,12^2) lattice. The ground state…
Using a first-principles fully relativistic scheme based on ultrasoft pseudopotentials and density functional perturbation theory, we study the magnetocrystalline anisotropy free energy of the ferromagnetic binary compound MnBi. We find…
We employ metadynamics simulations to calculate the free energy landscape of thin ferromagnetic films and perform a systematic study of the temperature dependence of magnetic anisotropy and of the spin-reorientation transitions. By using a…
FeGe in the B20 phase is an experimentally well-studied prototypical chiral magnet exhibiting helical spirals, skyrmion lattices and individual skyrmions with a robust length of 70~nm. While the helical spiral ground state can be verified…
Applying the local density approximation (LDA) and dynamical mean field theory (DMFT) to paramagnetic $\alpha $-iron, we revisit a problem of theoretical description of its magnetic properties. The analysis of local magnetic susceptibility…
Single-crystal synchrotron x-ray diffraction measurements in strong magnetic fields have been performed for magnetoelectric compounds GdMnO3 and TbMnO3. It has been found that the P || a ferroelectric phase induced by the application of a…
In terms of a semi-phenomenological exchange charge model, we have obtained estimates of parameters of the crystal field and parameters of the electron-deformation interaction in terbium titanate Tb2Ti2O7 with a pyrochlore structure. The…
Mapping the magnetic exchange interactions from model Hamiltonian to density functional theory is a crucial step in multi-scale modeling calculations. Considering the usual magnetic force theorem but with arbitrary rotational angles of the…
Density functional theory augmented with Hubbard-$U$ corrections (DFT+$U$) is currently one of the widely used methods for first-principles electronic structure modeling of insulating transition metal oxides (TMOs). Since $U$ is relatively…
The total magnetic energy of Lithium ferrite thin films was determined using the classical Heisenberg Hamiltonian. The short range magnetic dipole interactions between spins within one unit cell and the interactions between spins in two…
Electric field control of the exchange bias effect across ferromagnet/antiferromagnet (FM/AF) interfaces has offered exciting potentials for low-energy-dissipation spintronics. In particular, the solid state magneto-ionic means is highly…
Long-range and anisotropic dipolar interactions profoundly modify the dynamics of particles hopping in a periodic lattice potential. We report the realization of a generalized t-J model with dipolar interactions using a system of ultracold…
We show within a local self-consistent mean-field treatment that a random distribution of magnetic adatoms can open a robust gap in the electronic spectrum of graphene. The electronic gap results from the interplay between the nature of the…
We show the effect of composition on structural and magnetic characteristics of pure phase polycrystalline Ga<2-x>Fe<x>O<3> (GFO) for compositions between 0.8 <= x <= 1.3. X-ray analysis reveals that lattice parameters of GFO exhibit a…
For the van der Waals magnet Fe$_3$GeTe$_2$, although a ferromagnetic ground state has been reported, there are also reports of complex magnetic behavior suggesting coexistence of ferromagnetism and antiferromagnetism due to the intricate…
In the paper a study of a model magnetoelastic solid system is presented. The system of interest is a mean-field magnet with nearest-neighbour ferromagnetic interactions and the underlying s.c. crystalline lattice with the long-range Morse…
The results of the LSDA+U calculations for pyroxenes with diverse magnetic properties (Li,Na)TM(Si,Ge)$_2$O$_6$, where TM is the transition metal ion (Ti,V,Cr,Mn,Fe), are presented. We show that the anisotropic orbital ordering results in…
Understanding the nature of magnetic interactions in ultra-small magnetic ensembles and their intrinsic properties is vital to uncover the dynamics therein. In this study we reveal the spin dynamics of hexagonally arranged Fe atoms on…
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…
Hexagonal MnTe emerges as a critical component in designing magnetic quantum heterostructures, calling for a detailed study. After finding a suitable combination of exchange-correlation functional and corrections, our study within {\em ab…