Related papers: First Principles Study of Bismuth Films on the Nic…
Phosphorene, a single layer of black phosphorous (BLK-P), has a significant potential for flexible and tunable electronics, but attempts to grow it epitaxially have been unsuccessful to date. Meanwhile, hexagonal blue phoshorous (BL-P) has…
Bismuth based ternary oxide photocatalysts are of considerable interest in photoelectrochemical water splitting. Yet these oxides are highly stable in different environment, their relative inertness limits the available synthesis routes to…
Using first-principles calculations, we have systematically studied the quantum size effects of ultrathin Pb(111) films on the adsorption energies and diffusion energy barriers of oxygen atoms. For the on-surface adsorption of oxygen atoms…
Vertical integration of two-dimensional materials has recently emerged as an exciting method for the design of novel electronic and optoelectronic devices. Using density functional theory, we investigatethe structural and electronic…
The surface spin states for bismuth thin films were investigated using an $sp^3$ tight-binding model. The model explains the experimental observations using angle-resolved photoemission spectroscopy, including the Fermi surface, the band…
We study how confinement affects topology and conformations in polymer films of varying thickness $h$. The knotting probability exhibits a maximum at intermediate thicknesses near the bulk radius of gyration $h \approx R_\mathrm{g,bulk}$,…
Lead has been deposited on the ten-fold surface of decagonal Al72Ni11Co17 to form an epitaxial quasicrystalline single-element monolayer. The overlayer grows through nucleation of nanometer-sized irregular islands and the coverage saturates…
We investigate a nanoscale dielectric capacitor model consisting of two-dimensional, hexagonal h-BN layers placed between two commensurate and metallic graphene layers using self-consistent field density functional theory. The separation of…
The influence of the buffer layer of hafnia dielectric on superconducting properties of niobium nitride films, produced by the technique of the reactive magnetron depositing has been investigated for the first time. This study presents a…
Niobium is commonly used for superconducting quantum systems as readout resonators, capacitors, and interconnects. The coherence time of the superconducting qubits is mainly limited by microwave dissipation attributed to two-level system…
The presence of 2D electron gases at surfaces or interfaces in oxide thin films remains a hot topic in condensed matter physics. In particular, BaBiO3 appears as a very interesting system as it was theoretically proposed that its (001)…
Based on DFT calculation, we predict that BiCN, i.e., bilayer Bi films passivated with -CN group, is a novel 2D Bi-based material with highly thermodynamic stability, and demonstrate that it is also a new kind of 2D TI with a giant SOC gap…
Vibrational and electronic absorption spectra calculated at the (time-dependent) density functional theory level for the bismuth carbide clusters Bi$_{n}$C$_{2n}$$^+$ ($3 \le n \le 9$) indicate significant differences in types of bonding…
Langmuir-Blodgett (LB) films of dialkyldithiophosphate (DDP) modified Cu nanoparticles were prepared. The structure, microfrictional behaviors and adhesion of the LB films were investigated by transmission electron microscopy (TEM), X-ray…
The adsorption of C60 on Si(111) has been studied by means of first-principles density functional calculations. A 2x2 adatom surface reconstruction was used to simulate the terraces of the 7x7 reconstruction. The structure of several…
Two-dimensional bismuth (Bi) is a promising platform for quantum and energy technologies due to strong spin-orbit coupling, high thermoelectric efficiency, and magnetoresistance. However, scalable and flexible synthesis of high-quality Bi…
Two atomic layers of Ni condensed onto Pb films behave, according to anomalous Hall effect measurements, as magnetic dead layers. However, the Ni lowers the superconducting T_{c} of the Pb film. This has lead to the conclusion that the Ni…
We present deposition and characterization of multilayers consisting of 20 repetitions of 15 $\r{A}$ thick permalloy Ni$_{80}$Fe$_{20}$ at. \% (Py) and 5 $\r{A}$ Pt. The samples were prepared by two different sputter deposition methods,…
Atomic layer deposition of ultrathin HfO2 on unmodified graphene from HfCl4 and H2O was investigated. Surface RMS roughness down to 0.5 nm was obtained for amorphous, 30 nm thick hafnia film grown at 180 degrees C. HfO2 was deposited also…
Hexagonal boron nitride (h-BN) and graphite are structurally similar but with very different properties. Their combination in graphene-based devices meets now a huge research focus, and it becomes particularly important to evaluate the role…