Related papers: Spin-correlations and magnetic structure in an Fe …
We present a detailed study of the ground-state magnetic structure of ultrathin Fe films on the surface of fcc Ir(001). We use the spin-cluster expansion technique in combination with the relativistic disordered local moment scheme to…
We use first-principles calculations based on density functional theory to study how the magnetic properties of an Fe monolayer on a W(001) surface -- exhibiting a $c(2 \times 2)$ antiferromagnetic ground state -- can be modified by an…
Using first-principles calculations, we demonstrate that an Fe monolayer can assume very different magnetic phases on hexagonal hcp (0001) and fcc (111) surfaces of 4d- and 5d-transition metals. Due to the substrates' d-band filling, the…
We present detailed investigations of the magnetic properties of an Fe monolayer on W and Ta (110) surfaces based on the ab initio screened Korringa-Kohn-Rostoker method. By calculating tensorial exchange coupling coefficients, the ground…
We demonstrate the occurrence of compensated spin configurations in Fe clusters and monolayers on Ru(0001) and Rh(111) by a combination of X-ray magnetic circular dichroism experiments and first-principles calculations. Our results reveal…
The occurrence of a noncollinear magnetic structure at a Mn monolayer grown epitaxially on Fe(100) is predicted theoretically, using spinor density-functional theory, and observed experimentally, using x-ray magnetic circular dichroism…
Motivated by a recent experimental observation of a complex magnetic structure [Takada et al. 2013 J. Magn. Magn. Mater. 329 95] we present a theoretical study of the magnetic structure of an Fe monolayer deposited on Rh(001). We use a…
The magnetic structure of a Cr monolayer on a W(110) substrate is investigated by means of first-principles calculations based on the noncollinear spin density functional theory (DFT). As magnetic ground state we find a long-period…
We present detailed ab initio study of structural and magnetic stability of a Fe-monolayer on the fcc(001) surface of iridium. The Fe-monolayer has a strong tendency to order antiferromagnetically for the true relaxed geometry. On the…
We present a new approach to study the magnetic phase stability of magnetic overlayers on nonmagnetic substrates. The exchange integrals among magnetic atoms in the overlayer are estimated in the framework of the adiabatic approximation and…
Using first-principles calculations, we study the magnetic properties of a Co monolayer on a Pt(111) surface with a capping monolayer of selected $5d$ elements (Re, Os, Ir, Pt and Au). First we determine the tensorial exchange interactions…
We investigate the interplay between the structural reconstruction and the magnetic properties of Fe doublelayers on Ir (111)-substrate using first-principles calculations based on density functional theory and mapping of the total energies…
Two-dimensional materials and their heterostructures have opened up new possibilities for magnetism at the nanoscale. In this study, we utilize first-principles simulations to investigate the structural, electronic, and magnetic properties…
We study the magnetic interactions in atomic layers of Fe and 5d transition-metals such as Os, Ir, and Pt on the (001) surface of Rh using first-principles calculations based on density functional theory. For both stackings of the 5d-Fe…
We study theoretically the magnetic properties of the surface monolayers with the antiferromagnetic (AF) and ferromagnetic (FM) exchange interactions where the Dzyaloshinskii-Moriya interaction (DMI) is a result of the mirror symmetry…
We analyze magnetic phases of monolayers of transition metal dichalcogenides that are two-valley materials with electron-electron interactions. The exchange inter-valley scattering makes two-valley systems less stable to the spin…
Spin spirals form inside the magnetic layers of antiferromagnetic and noncollinearly-coupled magnetic multilayers in the presence of an external magnetic field. This spin structure can be modeled to extract the direct exchange stiffness of…
We report an unusual, non-monotonous dependence of the exchange bias on the thickness of the ferromagnetic layer in a ferromagnet/antiferromagnet bilayer system. We show that in epitaxial CoO/Fe(110) bilayers, the evolution of the Fe…
We propose to tailor exchange interactions in magnetic monolayer films by tuning the adjacent non-magnetic substrate. As an example, we demonstrate a ferromagnetic-antiferromagnetic phase transition for one monolayer Fe on a…
We have used ab initio density functional theory to compute the magnetic ground states of the surface alloy systems FeAu$_2$/Ru(0001) and MnAu$_2$/Ru(0001). For both systems, we find that the lowest energy magnetic configuration corresponds…