Related papers: Magnetic ground state of monolayer CeI$_{2}$: occu…
Two-dimensional (2D) ferromagnets have been a fascinating subject of research, and magnetic anisotropy (MA) is indispensable for stabilizing the 2D magnetic order. Here, we investigate magnetic anisotropy energy (MAE), magnetic and…
We investigate magnetic properties of CrTe$_2$ within the density functional theory (DFT) approach in ferromagnetic phase and combination of DFT and dynamical mean field theory (DFT+DMFT) approach in paramagnetic phase. We show that few…
Magnetic anisotropy is crucial for sustaining long range magnetic order in two-dimensional materials (2D) and must be taken into account by any approximate scheme for calculating critical temperatures. While 2D ferromagnets have received…
We present a comparative investigation of singlet ground state induced magnetism for singlet, doublet and triplet excited CEF states of non-Kramers f-electrons relevant primarily for Pr- and U- based compounds. This type of magnetic order…
The ground state properties of the Shastry-Sutherland model in the presence of an external field are investigated by means of variational states built up from unpaired spins (monomers) and singlet pairs of spins (dimers). The minimum of the…
We report a systematic investigation of dc magnetization and ac susceptibility, as well as anisotropic magnetocaloric effect in bulk CrI$_3$ single crystals. A second-stage magnetic transition was observed just below the Curie temperature…
The extraordinary properties of a heterostructure by stacking atom-thick van der Waals (vdW) magnets have been extensively studied. However, the magnetocaloric effect (MCE) of heterostructures that are based on monolayer magnets remains to…
Density functional theory (DFT) calculations are used to investigate the electronic and magnetic structures of a two-dimensional (2D) monolayer Li$_{2}$N. It is shown that bulk Li$_{3}$N is a non-magnetic semiconductor. The…
We present a minimal model that provides a description of the magnetic and thermodynamic properties of \Eu. The model contains two exchange coupling parameters, which are calculated using Density Functional Theory, and a local easy axis…
Layered transition metal trichalcogenides with the chemical formula $ABX_3$ have attracted recent interest as potential candidates for two-dimensional magnets. Using first-principles calculations within density functional theory, we…
Uranium dioxide (UO$_2$) remains a formidable challenge for first-principles approaches, due to the complex interplay among spin-orbit coupling, Mott physics, magnetic ordering, and crystal distortions. Here we use DFT+$U$ to explore UO$_2$…
We compare three first-principles methods of calculating the Curie temperature in two-dimensional (2D) ferromagnetic materials (FM), modeled using the Heisenberg model, and propose a simple formula for estimating the Curie temperature with…
We present a density functional theory (DFT) based study of a two-dimensional phase of chromium bismuthate (CrBi), previously unknown material with exceptional magnetic and magnetooptical characteristics. Monolayer CrBi is a ferromagnetic…
Two-dimensional (2D) ferromagnets and their heterostructures offer fertile grounds for designing fascinating functionalities in ultra-thin spintronic devices. Here, by first-principles calculations, we report the discovery of energetically…
Spin-orbit coupling (SOC) combined with electronic correlation can induce topological phase transition, producing novel electronic states. Here, we investigate the impact of SOC combined with correlation effects on physical properties of…
To date only a few two-dimensional (2D) magnetic crystals were experimentally confirmed, such as CrI3 and CrGeTe3, all with very low Curie temperatures (TC). High-throughput first-principles screening over a large set of materials yields 89…
Recently we have demonstrated the presence of spin-orbit toque in FeMn/Pt multilayers which, in combination with the anisotropy field, is able to rotate its magnetization consecutively from 0o to 360o without any external field. Here, we…
Magnetic anisotropy plays an essential role in information technology applications of magnetic materials, providing a means to retain the long-term stability of a magnetic state in the presence of thermal fluctuations. Anisotropy consists…
In order to probe the magnetic ground state, we have carried out temperature dependent magnetic Compton scattering experiments on an oriented single crystal of magnetite (Fe$_3$O$_4$), together with the corresponding first-principles band…
Recent realizations of intrinsic, long-range magnetic orders in two-dimensional (2D) van der Waals materials have ignited tremendous research interests. In this work, we employ the XXZ Heisenberg model and Monte Carlo simulations to study a…