Related papers: First-Principles Study on Leakage Current through …
The structural, electronic, and adhesive properties of Cu/SiO$_2$ interfaces are investigated using first-principles density-functional theory within the local density approximation. Interfaces between fcc Cu and $\alpha$-cristobalite(001)…
We have constructed microscopic, structurally-relaxed atomistic models of Si/SiO$_2$ superlattices. The structural distortion and oxidation-state characteristics of the interface Si atoms are examined in detail. The role played by the…
The self-assembly of submonolayer amounts of Au on the densely stepped Si(553) surface creates an array of closely spaced \atomic wires" separated by 1.5 nm. At low temperature, charge transfer between the terraces and the row of silicon…
While 2D materials have enormous potential for future device technologies, many challenges must be overcome before they can be deployed at an industrial scale. One of these challenges is identifying the right semiconductor/insulator…
Leakage current behavior of (BiFeO3)m(SrTiO3)m superlattice structures was studied and analyzed at different temperatures (303-473K) in the light of various models. While bulk limited Poole-Frenkel emission was observed to dominate the…
We present the experimental results for Nb/Au/YBaCuO structures, in which the current flows along (001) direction of YBaCuO film. The theoretical evaluations show, that at the experimental values of the Au/YBaCuO interface transparency,…
The passivation by diffusing H2 of silicon dangling bond defects (E' centers, induced by laser irradiation in amorphous SiO_2 (silica), is investigated in situ at several temperatures. It is found that the reaction between E' center and H_2…
On the basis of ab-initio total-energy electronic-structure calculations, we find that interface localized electron states at the SiC/SiO$_2$ interface emerge in the energy region between 0.3 eV below and 1.2 eV above the bulk…
Surface defects created and probed with scanning tunneling microscopes are a promising platform for atomic-scale electronics and quantum information technology applications. Using first-principles calculations we demonstrate how to engineer…
The effects of the oxidation atmosphere and crystal faces on the interface-trap density was examined by using constant-capacitance deep-level transient spectroscopy to clarify the origin of them. By comparing the DLTS spectra of the…
We found that carbon-associated byproducts formed at the dry-oxidized SiO2/SiC(0001) interface could be decomposed and be taken out to the SiO2 side by high-purity Ar annealing. We evaluated the concentration of the ejected carbon atoms in…
The Si/SiO$_2$ interface is populated by isolated trap states which modify its electronic properties. These traps are of critical interest for the development of semiconductor-based quantum sensors and computers, as well as nanoelectronic…
We evaluate the electronic, geometric and energetic properties of quasi 1-D wires formed by dangling bonds on Si(100)-H (2 x 1). The calculations are performed with density functional theory (DFT). Infinite wires are found to be insulating…
In spite of Anderson's theorem, disorder is known to affect superconductivity in conventional s-wave superconductors. In most superconductors, the degree of disorder is fixed during sample preparation. Here we report measurements of the…
A dispersion equation for the interface waves has been derived for the interface of two cubic crystals in the plane perpendicular to [001]. A reasonable hypothesis has been made about the total number of the acoustic modes. Due to this…
Intriguingly conducting perovskite interfaces between ordinary band insulators are widely explored, whereas similar interfaces with Mott insulators are still not quite understood. Here we address the (001), (110), and (111) interfaces…
We evaluate the electron transmission through a dangling-bond wire on Si(100)-H (2x1). Finite wires are modelled by decoupling semi-infinite Si electrodes from the dangling-bond wire with passivating H atoms. The calculations are performed…
The discovery that the interface between two band gap insulators LaAlO3 and SrTiO3 is highly conducting has raised an enormous interest in the field of oxide electronics. The LAlO3/SrTiO3 interface can be tuned using an electric field and…
Ion transport across solid solid interfaces is often slower than through the bulk of a material, impeding the charge and discharge rate of batteries. Designing highly conductive interfaces is challenging due to the need to probe ion…
We study the chemical nature of the bonding of an oxide layer to the parent metal. In order to disentangle chemical effects from strain/misfit, Ti(10$\bar{1}$0)/TiO$_{2}$(100) interface has been chosen. We use the density functional…