Related papers: First-principles study of nucleation, growth, and …

We combine Z-contrast scanning transmission electron microscopy with density-functional-theory calculations to determine the atomic structure of the Fe/AlGaAs interface in spin-polarized light-emitting diodes. A 44% increase in…

We have investigated random submonolayer films of 3d transition metals on W(001). The tight-binding linear muffin-tin orbital method combined with the coherent potential approximation was employed to calculate the electronic structure of…

By ab initio LMTO calculations in atomic-sphere approximation we have studied the interlayer exchange coupling between Fe films separated by Au spacers in infinite Fe/Au multilayers with (001) interface orientation. We also performed…

The sensitive dependence of monolayer materials on their environment often gives rise to unexpected properties. It was recently demonstrated that monolayer FeSe on a SrTiO$_3$ substrate exhibits a much higher superconducting critical…

Pd(111) has recently been shown to exhibit a propensity to form a sub-nanometer thin surface oxide film already well before a full monolayer coverage of adsorbed O atoms is reached on the surface. Aiming at an atomic-scale understanding of…

We have used complementary neutron and x-ray reflectivity techniques to examine the depth profiles of a series of as-grown and annealed Ga[1-x]Mn[x]As thin films. A magnetization gradient is observed for two as-grown films and originates…

To understand the chemical reaction at the interface of materials, we performed a transmission electron microscopy (TEM) observation in four types of Fe(Te,Se) superconducting thin films prepared on different types of substrates: CaF2…

Interfacial magnetism stimulates the discovery of giant magnetoresistance and spin-orbital coupling across the heterointerfaces, facilitating the intimate correlation between spin transport and complex magnetic structures. Over decades,…

The ferromagnetism of a thin GaMnAs layer with a perpendicular easy anisotropy axis is investigated by means of several techniques, that yield a consistent set of data on the magnetic properties and the domain structure of this diluted…

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…

A mean field method to study heteroepitaxial thin film growth is applied to growth, intermixing and surface reconstructions of $Au$ on $Ag(110)$. The results are in accordance with experimentally observed ``burrowing'' at submonolayer…

Thermodynamic properties of Ne, Ar, Kr, and Xe adsorbed on an Al-Ni-Co quasicrystalline surface (QC) are studied with Grand Canonical Monte Carlo by employing Lennard-Jones interactions with parameter values derived from experiments and…

The magnetic properties of thin-film Pd/Fe/Pd trilayers in which an embedded ~1.5 A-thick ultrathin layer of Fe induces ferromagnetism in the surrounding Pd have been investigated. The thickness of the ferromagnetic trilayer is controlled…

Interfacial reaction between iron and MgO has been studied in situ during deposition of iron on MgO surface, using soft x-ray absorption spectroscopy. High sensitivity of the technique which is capable of detecting even a sub monolayer of a…

Fe-doped III-V ferromagnetic semiconductors (FMSs) such as (In,Fe)As, (Ga,Fe)Sb, (In,Fe)Sb, and (Al,Fe)Sb are promising materials for spintronic device applications because of the availability of both n- and p-type materials and the high…

Evidence for the suppression of collective magnetic behavior of dipolarly interacting Fe nanoparticles is found in Fe-Ag granular multilayers. Interaction of Fe particles located in neighboring Fe layers is studied as a function of the…

Using ab-initio calculations within the framework of Density Functional Theory (DFT), atomic structures and electronic properties of MoS2/HfO2 interface are investigated. The impact of interfacial oxygen concentration on the MoS2/HfO2…

First-principles calculations were conducted to investigate the structural, electronic and magnetic properties of single Fe atoms and Fe dimers on Cu2N/Cu(100). Upon adsorption of an Fe atom onto Cu2N/Cu(100), robust Fe-N bonds form,…

We study the dipole layer formed at metal-organic interfaces by means of first-principles calculations. Interface dipoles are monitored by calculating the work function change of Au, Ag, Al, Mg and Ca surfaces upon adsorption of a monolayer…

We report different growth modes and corresponding magnetic properties of thin EuSe films grown by molecular beam epitaxy on BaF2, Pb1-xEuxSe, GaAs, and Bi2Se3 substrates. We show that EuSe growth predominantly in (001) orientation on…