Related papers: Energy of Ni/Ni$_{3}$Al Interface: a Temperature-D…
In the investigations of antiferromagnetic (AF)/ ferromagnetic (FM) bilayer samples, often distinct experimental techniques yield different values for the measured exchange anisotropy field (HE). We propose that the observed discrepancy may…
Motivated by the radiation damage of solar panels in space, firstly, the results of Monte Carlo particle transport simulations are presented for proton impact on triple-junction Ga$_{0.5}$In$_{0.5}$P/GaAs/Ge solar cells, showing the proton…
The thermoelectric power (TEP) measurements have been carried out to investigate the changes in the electronic structure associated with the intermartensitic and martensitic transitions in Ni$_{2+x}$Mn$_{1-x}$Ga (0 $\le$ x $\le$ 0.19). The…
The temperature dependence of the electrical resistivity of the heterostructures consisting of single crystalline LaMnO$_3$ samples with different crystallographic orientations covered by the epitaxial ferroelectric…
Ab-initio calculations have been used to study the influence of the interface morphology and, notably, of the exchange reaction on the electronic properties of Al/GaN (100) interfaces. In particular, the effects of interface structure (i.e.…
We investigate the adsorption of a Ni monolayer on the $\beta$-SiC(001) surface by means of highly precise first-principles all-electron FLAPW calculations. Total energy calculations for the Si- and C-terminated surfaces reveal high Ni-SiC…
The Thermal Boundary Resistance at the interface between a nanosized Al film and an Al_{2}O_{3} substrate is investigated at an atomistic level. A room temperature value of 1.4 m^{2}K/GW is found. The thermal dynamics occurring in…
We provide accurate Monte Carlo results for the free energy of interfaces with periodic boundary conditions in the 3D Ising model. We study a large range of inverse temperatures, allowing to control corrections to scaling. In addition to…
Theoretical analysis and experimental results on the combustion in the Ni-Al layered system are presented. Combustion wave temperature and velocity were measured and microstructural and compositional determinations were made. The latter…
First-principles calculations based on density-functional theory in the pseudo-potential approach have been performed for the total energy, crystal structure and cell polarization for SrTaO$_2$N/SrTiO$_3$ heterostructures. Different…
A detailed study of the exchange bias effect and the interfacial electronic structure in Ni/Co3O4(011) is reported. Large exchange anisotropies are observed at low temperatures, and the exchange bias effect persists to temperatures well…
To gain a deeper insight into the anomalous yield behavior of Ni3Al, it is essential to obtain temperature-dependent formation Gibbs energies of the relevant planar defects. Here, the Gibbs energy of the complex stacking fault (CSF) is…
Here, we quantitatively determine the impact of III-V/Si interface atomic configuration on the wetting properties of the system. Based on a description at the atomic scale using density functional theory, we first show that it is possible…
In the investigations of antiferromagnetic (AF)/ ferromagnetic (FM) bilayer samples, often distinct experimental techniques yield different values for the measured exchange anisotropy field (HE). Using a simple microscopic model for…
Charge transfer induced interfacial ferromagnetism and its impact on the exchange bias effect in La$_{0.7}$Sr$_{0.3}$MnO$_3$/NdNiO$_3$ correlated oxide heterostructures were investigated by soft x-ray absorption and x-ray magnetic circular…
The structural, electronic, and magnetic properties of (100)-oriented Co$_{2}$MnAl/MgO and Co$_{2}$MnAl/GaAs heterostructures are investigated using plane-wave pseudopotential density functional theory. For the Co$_{2}$MnAl/MgO, CoCo-MgMg,…
Heterointerfaces have been pivotal in unveiling extraordinary interfacial properties and enabling multifunctional material platforms. Despite extensive research on all-oxide interfaces, heterointerfaces between different material classes,…
The temperature dependence of the symmetry energy and the symmetry free energy coefficients of atomic nuclei is investigated in a finite temperature Thomas-Fermi framework employing the subtraction procedure. A substantial decrement in the…
We study the dependence of magnetic interactions and Curie temperature in Ni(1+x)MnSb system on the Ni concentration within the framework of the density-functional theory. The calculation of the exchange parameters is based on the…
The secondary phase, such as Ni$_3$Al-based $L1_2$ $\gamma^\prime$, is crucially important for precipitation strengthening of superalloys. Composition-structure-property relations provide useful insights for guided alloy design. Here we use…