Related papers: Spin-lattice couplings in $3d$ ferromagnets: analy…

Cr2Ge2Te6 has been of interest for decades, as it is one of only a few naturally forming ferromagnetic semiconductors. Recently, this material has been revisited due to its potential as a 2 dimensional semiconducting ferromagnet and a…

A coupled atomistic spin and lattice dynamics approach is developed which merges the dynamics of these two degrees of freedom into a single set of coupled equations of motion. The underlying microscopic model comprises local exchange…

The magnetic phase diagram and the thermodynamic properties of a square lattice containing antiferromagnetically coupled spin-1/2 triangles are studied. A Heisenberg Hamiltonian with three strong intra-triangle exchange coupling constants…

Ferronematic phases, composed of liquid crystals doped with magnetic nanoparticles, exhibit unique magnetomechanical coupling effects that are of interest for responsive materials. In this study, we investigate the influence of…

The calculation of interatomic magnetic exchange interactions entering the Heisenberg model from the standpoint of the density functional theory (DFT) is outlined for two Fe-based molecular magnets: a trinuclear complex with a Schiff base…

In the spirit of multi-scale modelling magnetization dynamics at elevated temperature is often simulated in terms of a spin model where the model parameters are derived from first principles. While these parameters are mostly assumed…

Using spin density functional theory we have carried out a comparative study of chemical bonding and magnetism in Fe_4N, Fe_3N and Fe_2N. All of these compounds form close packed Fe lattices, while N occupies octahedral interstitial…

First-principles calculations are used to gauge different levels of approximation to calculate the magnetocrystalline anisotropy energies (MAE) of five $L1_0$ FeMe alloys (Me=Co, Cu, Pd, Pt, Au). We find that a second-order perturbation…

In the usual Fock-and Darwin-formalism with parabolic potential characterized by the confining energy $\eps_o := \hbar\omega_o= 3.37$ meV, but including explicitly also the Zeeman coupling between spin and magnetic field, we study the…

Superlattices built from two antiferromagnetic (AFM) charge/orbital order compounds, $Pr_{0.5}Ca_{0.5}MnO_3$ and $La_{0.5}Ca_{0.5}MnO_3$, have been studied as the thickness of $La_{0.5}Ca_{0.5}MnO_3$ ($LCMO$) varied. High structural quality…

We consider quantum Heisenberg ferro- and antiferromagnets on the square lattice with exchange anisotropy of easy-plane or easy-axis type. The thermodynamics and the critical behaviour of the models are studied by the pure-quantum…

The exchange interaction among electrons is one of the most fundamental quantum mechanical interactions in nature and underlies any magnetic phenomena from ferromagnetic ordering to magnetic storage. The current technology is built upon a…

The orbital contribution to the magnetic moment of the transition metal ion in the isostructural weak ferromagnets ACO$_3$ (A=Mn,Co,Ni) and FeBO$_3$ was investigated by a combination of first-principles calculations, non-resonant x-ray…

Quasi-2D van der Waals ferromagnet Fe$_4$GeTe$_2$, featuring the simultaneous presence of high Curie temperature ($T_\mathrm{C}$ $\sim 270$ K) and a spin-reorientation transition at $T_\mathrm{SR}$ $\sim 110$ K, is a rare system where…

The competition among spin glass (SG), ferromagnetism and Kondo effect has been analysed in a Kondo lattice model where the inter-site coupling $J_{ij}$ between the localized magnetic moments is given by a generalized Mattis model…

High entropy alloys (HEAs) are promising magnetocaloric materials with tunable operating temperature conditions using compositional modifications. Here, we combine experiments and first principles based spin modelling to engineer…

A significant number of Kondo-lattice ferromagnets order perpendicular to the easy magnetization axis dictated by the crystalline electric field. The nature of this phenomenon has attracted considerable attention, but remains poorly…

Motivated by the magnetically-driven high-temperature ferroelectric behavior of CuO and the subsequent theoretical efforts to understand this intriguing phenomenon, we study a spin model on a two-dimensional square lattice which possesses…

Mixed-spin Ising model on a decorated Bethe lattice is rigorously solved by combining the decoration-iteration transformation with the method of exact recursion relations. Exact results for critical lines, compensation temperatures, total…

The geometrically frustrated two dimensional triangular lattice magnets A${_4}$B'B${_2}$O$_{12}$ (A = Ba, Sr, La; B' = Co, Ni, Mn; B = W, Re) have been studied by x-ray diffraction, AC and DC susceptibilities, powder neutron diffraction,…