相关论文: Suppression of local magnetic moment formation and…
Monolayer Fe$_2$C is expected to possess strong electronic correlations, which can significantly contribute to electronic and magnetic properties. In this work we consider electronic and magnetic properties of MXene Fe$_2$C within the…
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…
Monoclinic Y$_{0.7}$Er$_{0.3}$Fe$_2$D$_{4.2}$ compound exhibits unusual magnetic properties with different field induced magnetic transitions. The deuteride is ferrimagnetic at low temperature and the Er and Fe sublattices present magnetic…
The magnets are typically classified into Stoner and Heisenberg type, depending on the itinerant or localized nature of the constituent magnetic moments. In this work, we investigate theoretically the behaviour of the magnetic moments of…
Applying the local density approximation (LDA) and dynamical mean field theory (DMFT) to paramagnetic $\alpha $-iron, we revisit a problem of theoretical description of its magnetic properties. The analysis of local magnetic susceptibility…
The van der Waals ferromagnet Fe$_3$GeTe$_2$ has recently attracted extensive research attention due to its intertwined magnetic, electronic and topological properties. Here, using high-resolution angle-resolved photoemission spectroscopy,…
The Fe$_{n}$GeTe$_{2}$ systems are newly discovered two-dimensional van-der-Waals materials, exhibiting magnetism at room temperature. The sub-systems belonging to Fe$_{n}$GeTe$_{2}$ class are special because they show site-dependent…
We compute the electronic structure, spin and charge state of Fe ions, and structural phase stability of paramagnetic CaFeO$_3$ under pressure using a fully self-consistent in charge density DFT+dynamical mean-field theory method. We show…
Applying the local density and dynamical mean field approximations to paramagnetic \gamma-iron we revisit the problem of theoretical description of magnetic properties in a wide temperature range. We show that contrary to \alpha-iron, the…
Two-dimensional (2D) van der Waals ferromagnets have potential applications as next-generation spintronic devices and provide a platform to explore the fundamental physics behind 2D magnetism. The dual nature (localized and itinerant) of…
We study intrinsic charge-carrier scattering mechanisms and determine their contribution to the transport properties of the two-dimensional ferromagnet Fe$_3$GeTe$_2$. We use state-of-the-art first-principles calculations combined with the…
We suggest here the method of the mapping of DFT calculations on the multiorbital model in a following way: the parameters of the formulated multiorbital model should be determined from the requirement that the self-consistent charge and…
The experimental studies of the paramagnetic-antiferromagnetic phase transition through M\"{o}ssbauer spectroscopy and measurements of temperature and field dependencies of magnetic susceptibility in the layered Cu$_{0.15}$Fe$_{0.85}$PS$_3$…
The archetypal $3d$ Mott insulator hematite, Fe$_2$O$_3$, is one of the basic oxide components playing an important role in mineralogy of Earth's lower mantle. Its high pressure-temperature behavior, such as the electronic properties,…
We have studied local magnetic moment and electronic phase separation in superconducting K$_{x}$Fe$_{2-y}$Se$_2$ by x-ray emission and absorption spectroscopy. Detailed temperature dependent measurements at the Fe K-edge have revealed…
We consider electronic correlation effects and their impact on magnetic properties of tetragonally distorted chemically ordered FeCo alloys (L1$_0$ structure) being a promising candidate for rare-earth-free permanent magnets. We employ a…
Magnetism in two-dimensional (2D) materials has attracted considerable attention recently for both fundamental understanding of magnetism and their tunability towards device applications. The isostructural Fe$_3$GeTe$_2$ and Fe$_3$GaTe$_2$…
In the local or itinerant extreme, magnetic excitations can be described by the Heisenberg model which treats electron spins as localized moments, or by the itinerant-electron model where the exchange interaction between electrons leads to…
We study the electronic and magnetic properties of L1$_0$ phase of FeNi, a perspective rare-earth-free permanent magnet, by using a combination of density functional and dynamical mean-field theory. Although L1$_0$ FeNi has a slightly…
We study the momentum- and temperature dependencies of magnetic susceptibilities and magnetic exchange in paramagnetic fcc iron by a combination of density functional theory and supercell dynamical mean-field theory (DFT+DMFT). We find that…