Related papers: EL2--like defects in InP nanowires
We have employed the improved Peierls-Nabarro (P-N) equation to study the properties of 1/2<110> edge dislocation in {111} plane in FCC metals Al, Cu, Ir, Pd, and Pt. The generalized-stacking-fault energy (GSFE) surface entering the…
Nanoparticles (NPs) which combine several magnetic phases offer wide perspectives for cutting edge applications because of the high modularity of their magnetic properties. Besides the addition of the magnetic characteristics intrinsic to…
A microscopic control over the origin and dynamics of localised spin centres in lower dimensional solids turns out to be a key factor for next generation spintronics and quantum technologies. With the help of low temperature electron…
Recent Magnetospheric Multiscale (MMS) observations report approximate equality between electric and magnetic field energy spectral densities, $\varepsilon_{0} P[\delta E]/2 \approx P[\delta B]/(2\mu_{0})$, at sub-electron scales in…
A procedure to achieve the density-controlled growth of gold-catalyzed InP nanowires (NWs) on (111) silicon substrates using the vapor-liquid-solid method by molecular beam epitaxy is reported. We develop an effective and mask-free method…
$^{59}$Co NMR experiments have been performed on single crystals of the layered cobaltate Na$_{x}$CoO$_{2}$ with x=0.77 which is an antiferromagnet with N\'eel temperature $T_{N}=22$~K. In this metallic phase six Co sites are resolved in…
We have performed total-energy density-functional calculations using first-principles pseudopotentials to determine the atomic and electronic structure of neutral surface and subsurface vacancies at the GaP(110) surface. The cation as well…
The low energy structures of irradiation-induced defects have been studied in detail, as these determine the available modes by which a defect can diffuse or relax. As a result, there are many studies concerning the relative energies of…
The electronic properties of pure and As-doped Si nanowires with radii up to 9.53 nm are studied using large scale density functional theory (DFT) calculations. We show that, for the undoped nanowires, the DFT bandgap reduces with…
The magnetic relaxation characteristics are investigated in the two-dimensional ($l^{}_x\times l^{}_y$) assembly of nanoparticles as a function of out-of-plane positional disorder strength $\Delta(\%)$ using numerical simulations. Such…
The deposition of Al film onto the (111) surface of a p-Si crystal was shown to induce a deformation in the near-surface layer of the latter. Provided that the crystal strain is elastic and uniaxial, the gettering of defects in the…
We employed first-principles calculations to investigate the thermoelectric transport properties of the compound As$_2$Se$_3$. Early experiments and calculations have indicated that these properties are controlled by a kind of native defect…
We report an ab initio study of the semiconducting Mg2X (with X = Si, Ge) compounds and in particular we analyze the formation energy of the different point defects with the aim to understand the intrinsic doping mechanisms. We find that…
We report a comprehensive density functional theory (DFT) + $U$ study of the energetics of charged and neutral oxygen defects in both PuO$_{2}$ and $\alpha$-Pu$_{2}$O$_{3}$, and present a quantitative determination of the equilibrium…
Structural and magnetic properties of Fe@Pt core-shell nanostructure prepared by a sequential reduction process are reported. Transmission electron microscopy (TEM) shows nearly spherical particles fitting a lognormal size distribution with…
This work focuses on the microstructure of metallic deposits formed by galvanostatic electrodeposition inside a Hele-Shaw cell without both supporting electrolyte and flow. For a low applied current density j, the deposit grows under the…
Renewed focus on the P-Si system due to its potential application in quantum computing and self-directed growth of molecular wires, has led us to study structural changes induced by P upon placement on Si(001)-$p(2\times 1)$. Using…
Aggregation of nanoparticles of given size $R$ induced by addition of a polymer strongly depends on its degree of rigidity. This is shown here on a large variety of silica nanoparticle self-assemblies obtained by electrostatic complexation…
Using nanometer spatial resolution electron-energy loss spectroscopy (EELS), energy dispersive X-ray spectroscopy (EDS), and cathodoluminescence (CL) mapping, we demonstrate that Au alloys containing a poor plasmonic metal (Pd) can…
Analytical expressions for the binding energy of electrons and positrons in dielectric clusters, analysed in this work, neglect the elastic effects. Therefore, we present the density-functional theory for neutral liquid clusters that…