Related papers: First-principles study on interface magnetic struc…
It is generally believed that superconductivity and magnetism are two antagonistic long-range phenomena. However, as it was preliminarily highlighted in D. Stamopoulos et al. [Phys. Rev. B 75, 014501 (2007)] and extensively studied in this…
Using ab initio methods based on density functional theory, the electronic and magnetic structure of layered hexagonal NbSe$_{2}$ is studied. In the case of single-layer NbSe$_{2}$ it is found that, for all the functionals considered, the…
Employment of the non-trivial proximity effect in Superconductor/Ferromagnet (S/F) heterostructures for creation of novel superconducting devices requires an accurate control of magnetic states in complex thin-film multilayers composing…
The nature of magnetic order and transport properties near surfaces is a topic of great current interest. Here we model metal-insulator interfaces with a multi-layer system governed by a tight-binding Hamiltonian in which the interaction is…
In this work we report a study of the magnetic behavior of ferrimagnetic oxide CoFe2O4 and ferrimagnetic oxide/ferromagnetic metal CoFe2O4/CoFe2 nanocomposites. The latter compound is a good system to study hard ferrimagnet/soft ferromagnet…
In this work, we present electronic and magnetic properties of CaMnO3 (CMO) as obtained from ab initio calculations. We identify the preferable magnetic order by means of density functional theory plus Hubbard U calculations and extract the…
TbMn6Sn6 is a metallic ferrimagnet displaying signatures of both topological electrons and topological magnons arising from ferromagnetism and spin-orbit coupling within its Mn kagome layers. Inelastic neutron scattering measurements find…
Magnetic thin film heterostructures have been widely studied for fundamental interests in the emergence of novel phenomena accompanied by the heterointerface formation as well as their promising practical potential. Combining x-ray magnetic…
We have studied the structural, electronic and magnetic properties of spinel $\rm Co_3O_4$(111) surfaces and their interfaces with ZnO (0001) using density functional theory (DFT) within the Generalized Gradient Approximation with on-site…
The magnetic anisotropy and magnetic interactions at the interface between Fe and NiO(001) were investigated. Depending on the growth conditions of the NiO(001) layers and the post-annealing temperature, the preferential magnetization…
Thin film magnetic heterostructures with competing interfacial coupling and Zeeman energy pro- vide a fertile ground to study phase transition between different equilibrium states as a function of external magnetic field and temperature. A…
In the latest experimental advances, Ni-, Co- and Cu-HAB MOFs were synthesized in 2D forms, with high electrical conductivities and capacitances as well. Motivated by these experimental advances, we employed first-principles simulations to…
We use density-functional theory to describe the initial stages of Fe film growth on GaAs(001), focusing on the interplay between chemistry and magnetism at the interface. Four features appear to be generic: (1) At submonolayer coverages, a…
The magnetic properties of the transition metal monoxides MnO and NiO are investigated at equilibrium and under pressure via several advanced first-principles methods coupled with Heisenberg Hamiltonian MonteCarlo. The comparative…
Magnetic nanoparticles are important building blocks for future technologies ranging from nano-medicine to spintronics. Many related applications require nanoparticles with tailored magnetic properties. However, despite significant efforts…
The weak interlayer coupling in van der Waals (vdW) magnets has confined their application to two dimensional (2D) spintronic devices. Here, we demonstrate that the interlayer coupling in a vdW magnet Fe$_3$GeTe$_2$ (FGT) can be largely…
Magnetic coupling between Ni_{81}Fe_{19} double thin films separated by an insulating SiO_{2} spacer layer is investigated with structural measurements, cross sectional imaging, magnetization measurements (BH loop) and transport under the…
FeNbTe$_{2}$, long known as a van der Waals metallic system, has recently been resynthesized and shown to exhibit ferromagnetic order. In this study, using first-principles density functional theory (DFT), we aim to provide a deeper insight…
The mechanical and magnetic properties of the newly discovered MAB-phase class of materials based upon AlFe2B2 were investigated. The samples were synthesised from stoichiometric amounts of all constituent elements. X-ray diffraction shows…
The electronic structure and magnetic properties of the graphene/Fe/Ni(111) system were investigated via combination of the density functional theory calculations and electron-spectroscopy methods. This system was prepared via intercalation…