Related papers: Structural and magnetic properties of Fe/ZnSe(001)…
We investigate 1, 2, 3, and 4 monolayers of iron grown on the (001) surface of ZnSe using spin density functional theory, plane-wave expansion, and ultrasoft pseudopotentials. An ideal structure of the interface is plausible due to the very…
We have probed the interface of a ferromagnetic/semiconductor (FM/SC) heterojunction by a combined high resolution photoemission spectroscopy and x-ray photoelectron diffraction study. Fe/ZnSe(001) is considered as an example of a very low…
We present an investigation on the structural and magnetic properties of the interfaces of $\mathrm{Fe_3O_4/MgO(001)}$ and $\mathrm{Fe_3O_4/NiO/MgO(001)}$ by extracting cation-selective magnetooptical depth profiles by means of x-ray…
We have investigated the initial growth of Fe on GaAs(110) by means of density functional theory. In contrast to the conventionally used (001)-surface the (110)-surface does not reconstruct. Therefore, a flat interface and small diffusion…
In this contribution, we calculate the spin-dependent ballistic and coherent transport through epitaxial Fe/ZnSe (001) simple and double magnetic tunnel junctions with two different interface terminations: Zn-terminated and Se-terminated.…
Interface magnetism and topological structure of Fe on organic semiconductor film (Alq3) have been studied and compared with Fe film deposited directly on Si (100) substrate. To get information on the diffused Fe layer at the Fe/Alq3…
Comprehensive investigations on ZnSe/GaAs and GaAs/ZnSe interfaces were carried out by photoluminescence (PL) and transmission electron microscopy (TEM), as a part of realizing high quality ZnSe-GaAs (100) hetero-valent structures (HS). The…
The electronic and magnetic properties of Fe/GaAs(001) magnetic junctions are investigated using first-principles density-functional calculations. Abrupt and intermixed interfaces are considered, and the dependence of charge transfer,…
The magnetic properties of Nd${}_2$Fe${}_{14}$B (NFB)/transition metal (TM = Fe, Co) multilayer systems are studied on the basis of first-principles density functional calculations. We optimize the model structure under a variety of…
Structure optimizations were performed for 1 and 2 monolayers (ML) of Fe on a 5 ML W(110) substrate employing the all-electron full-potential linearized augmented plane-wave (FP-LAPW) method. The magnetic moments were also obtained for the…
Tailor-made magnetic nanostructures offer a variety of functionalities useful for technological applications. In this work, we explore the possibilities of realizing Fe nanostructures at the interfaces of 2D graphene and h-BN by ab initio…
We perform first-principles density functional calculations to elucidate structural, electronic and magnetic properties at the interface of \ce{(0001)Cr2O3-(111)Pt} bilayers. This investigation is motivated by the fact that, despite the…
We have performed accurate \emph{ab--initio} pseudopotential calculations for the structural and electronic properties of ZnSe/GaAs(001) heterostructures with interface configurations accounting for charge neutrality prescriptions. Beside…
Using atomistic Monte Carlo simulations, we investigated the impact of the interface on the structural properties of iron and copper (Fe/Cu) magnetic multilayers grown by Vorono\"i diagram. Interest in magnetic multilayers has recently…
Mixing of atoms at the interface was studied for Mn/Fe magnetic hetero-epitaxial layers on Cu(001) by scanning tunneling microscopy/spectroscopy. The formation of a surface alloy was observed when the Mn layer was thinner than 3 atomic…
The Augmented Space Formalism coupled with Recursion method and Density Functional Theory based Tight-Binding Linear Muffin-Tin Orbitals have been applied for a first principles calculation of surface electronic and magnetic properties of…
The interface between FePt--L1$_0$ and MgO(001) alloys has been studied using density functional calculations. Because the stacking of the face-centered tetragonal L1$_0$ phase is formed by alternating Fe and Pt planes, both the Fe- and…
We investigate the thermoelectric properties of Fe/MgO/Fe(001) magnetic tunnel junctions (MTJs) by means of the linear-response theory combined with a first-principles-based Landauer-B\"uttiker approach. We find that the Seebeck coefficient…
The magnetic properties of Mn, Co and Ni substituted Fe4N are calculated from first principles theory. It is found that the generalized gradient approximation reproduces with good accuracy the magnetic moment and equilibrium volume for the…
We calculate the tunneling magnetoresistance (TMR) of Fe|ZnSe|Fe|ZnSe|Fe (001) double magnetic tunnel junctions as a function of the in-between Fe layer's thickness, and compare these results with those of Fe|ZnSe|Fe simple junctions. The…