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The adsorption of MgO molecules on a Fe(001) surface was studied using density functional theory (DFT) and projector augmented wave methods. The energetically most favored configurations for different adsorption sites considered were…

Improving reactivity on an insulating surface is crucial due to their important applications in surface catalytic reactions. In this work, we carried out first-principles calculations to investigate the adsorption of O2 on a single-layer…

The atomic interaction and magnetic properties of ultrathin Fe films grown on cleaved and polished MgO(100) surfaces were studied by conversion electron M\"{o}ssbauer spectroscopy (CEMS) in broad temperature range. Fe with different layer…

The performance of advanced magnetic tunnel junctions build of ferromagnetic (FM) electrodes and MgO as insulating barrier depends decisively on the properties of the FM/insulator interface. Here, we investigate interface formation between…

We explore phase equilbria on the MgO-Fe join as a prototype of lithophile-core interaction in terrestrial planets. Our simulations, based on density functional theory, are based on a two-phase method: fluids of initially pure MgO and Fe…

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…

Oxygen solubility in solid iron is extremely low, even at high pressures and temperatures. Thus far, no Fe-O compounds between Fe and FeO endmembers have been reported experimentally. We observed chemical reactions of Fe with FeO or…

By combining x-ray excited Auger electron diffraction experiments and multiple scattering calculations we reveal a layer-resolved shift for the Mg KL23L23 Auger transition in MgO ultrathin films (4-6 \AA) on Ag(001). This resolution is…

Synthesizing distinct phases and controlling the crystalline defects in them are key concepts in materials and process design. These approaches are usually described by decoupled theories, with the former resting on equilibrium…

Experiments on surface melting of several organic materials have shown contradictory results. We study the Van der Waals interactions between interfaces in surface melting of the bulk CH_4 and interfacial melting of the CH_4 film on the MgO…

Interfaces in the MgO-FeCoB-MgO trilayer have been studied with grazing incident nuclear resonance scattering (GINRS) using the x-ray standing waves (XSW) technique. High depth selectivity of the present method allows one to measure…

The properties of MgO/Ag(001) ultrathin films with substitutional Mg atoms in the interface metal layer have been investigated by means of Auger electron diffraction experiments, ultraviolet photoemission spectroscopy, and density…

NiCo2O4 (NCO) films grown on MgAl2O4 (001) substrates have been studied using magnetometry, x-ray magnetic circular dichroism (XMCD) based on x-ray absorption spectroscopy, and spin-polarized inverse photoemission spectroscopy (SPIPES) with…

Magnetite (Fe3O4) thin films on GaAs have been studied with HArd X-ray PhotoElectron Spectroscopy (HAXPES) and low-energy electron diffraction. Films prepared under different growth conditions are compared with respect to stoichiometry,…

Oxygen and other light elements comprise up to 5 wt% of the Earth's outer-core, and may significantly influence its physical properties and the operation of the geodynamo. Here we report in situ x-ray diffraction measurements of Fe, Fe +…

First principles density functional calculations are used to study the early oxidation stages of the Mg(0001) surface for oxygen coverages 1/16 <= Theta <= 3 monolayers. It is found that at very low coverages O is incorporated below the…

We present results from an X-ray photoemission spectroscopy (XPS) study of CoFeB/MgO bi-layers where we observe process-dependent formation of B, Fe, and Co oxides at the CoFeB/MgO interface due to oxidation of CoFeB during MgO deposition.…

A detailed interface study was conducted on a Fe/MgO/Fe system using laser assisted 3D atom probe. It exhibits an additional oxide formation at the second interface of the multilayer structure independent of laser wavelength, laser fluence…

Interfacial mixing of elements is a well-known phenomenon found in thin film deposition. For thin-film magnetic heterostructures, interfacial compositional inhomogeneities can have drastic effects on the resulting functionalities. As such,…

The intercalation of different species in graphene-metal interfaces is widely used to stabilise the artificial phases of different materials. However, formation of the surface alloys upon the guest-metal intercalation is still an open…