Related papers: Surface structures of the magnetostrictive D03-Fe3…
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…
Using spin-density functional theory we investigated various possible structures of the hematite (0001) surface. Depending on the ambient oxygen partial pressure, two geometries are found to be particularly stable under thermal equilibrium:…
The one-dimensional reconstruction of Au/Ge(001) was investigated by means of autocorrelation functions from surface x-ray diffraction (SXRD) and scanning tunneling microscopy (STM). Interatomic distances found in the SXRD-Patterson map are…
Ferrimagnetic Mn$_2$Fe$_x$Ga $(0.26 \leq x \leq 1.12)$ thin films have been characterised by X-ray diffraction, SQUID magnetometry, X-ray absorption spectroscopy, X-ray magnetic circular dichroism and M\"{o}ssbauer spectroscopy with the aim…
Si(111) and Ge(111) surface formation energies were calculated using density functional theory for various biaxial strain states ranging from -0.04 to 0.04, and for a wide set of experimentally observed surface reconstructions: 3x3, 5x5,…
We have performed first principles electronic structure calculations to investigate the structural and magnetic properties of Fe/ZnSe(001) interfaces. Calculations involving full geometry optimizations have been carried out for a broad…
The electronic structure, magnetic properties and phase formation of hexagonal ferromagnetic Fe$_{3}$Sn-based alloys have been studied from first principles and by experiment. The pristine Fe$_{3}$Sn compound is known to fulfill all the…
We study the magnetic, structural, and electronic properties of the recently discovered iron- based superconductor BaFe2S3 based on density functional theory with the generalized gradient approximation. The calculations show that the…
We report on domain formation and magnetization reversal in epitaxial Fe films on ferroelectric BaTiO3 substrates with ferroelastic a-c stripe domains. The Fe films exhibit biaxial magnetic anisotropy on top of c domains with out-of-plane…
Magnetisation dynamics in exchange spring magnets have been studied using simulations of the FePt/Fe bilayer system. The FePt hard layer exhibits strong perpendicular magnetocrystalline anisotropy, while the soft (Fe) layer has negligible…
Although a cubic phase of Mn$_3$Ga with an antiferromagnetic order has been theoretically predicted, it has not been experimentally verified in a bulk or film form. Here, we report the structural, magnetic, and electrical properties of…
Perpendicular heterostructures based on a ferrimagnetic Mn2RuxGa (MRG) layer and a ferromagnetic Co/Pt multilayer were examined to understand the effects of different spacer layers (V, Mo, Hf, HfOx and TiN) on the interfaces with the…
We investigated the thermal evolution of the magnetic properties of MnAs epitaxial films grown on GaAs(001) during the coexistence of hexagonal/orthorhombic phases using polarized resonant (magnetic) soft X-ray scattering and magnetic force…
The spin-density functional theory (DFT) and DFT+$U$ with Hubbard $U$ term accounting for on-site Coulomb interactions were applied to investigate structure, stability, and electronic properties of different terminations of 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…
Results from 2.5D and 3D studies of the onset and development of the tearing instability are presented, using high fidelity resistive MHD simulations. A limited parameter study of the strength of the reconnecting field (or shear angle) was…
Surface magnetic properties of the pseudomorphic Fe(110) monolayer on a W(110) substrate are investigated from first principles as a function of the substrate thickness (up to eight layers). Analyzing the magnetocrystalline anisotropy…
We present an experimental investigation of the magnetic, electrical and structural properties of Ga0.94Mn0.06As1-yPy layers grown by molecular beam epitaxy on GaAs substrates for y less than or equal to 0.3. X-ray diffraction measurements…
Introducing magnetism to the surface state of topological insulators, such as Bi2Te3, can lead to a variety of interesting phenomena. We use scanning tunneling microscopy (STM) to study a single quintuple layer (QL) of the van der Waals…
We have used density functional theory to study the structural stability of surface alloys. Our systems consist of a single pseudomorphic layer of $M_xN_{1-x}$ on the Ru(0001) surface, where $M$ = Fe or Co, and $N$ = Pt, Au, Ag, Cd, or Pb.…