相关论文: Quantum-size effects on chemisorption properties: …
First-principles calculations of Cu(001) free-standing thin films have been performed to investigate the oscillatory quantum size effects exhibited in surface energy, work function, atomic relaxation, and adsorption energy of the cesium…
The origin of the correlation between surface reactivity and quantum-size effects, observed in recent experiments on the oxidation of ultrathin magnesium films, is addressed by means of ab-initio calculations and model predictions. We show…
We have carried out first-principles calculations of Be(0001) thin films to study the oscillatory quantum size effects exhibited in the surface energy, work function, and binding energy of the atomic hydrogen monolayer adsorption. The…
We have carried out first-principles calculation of Mg(0001) free-standing thin films to study the oscillatory quantum size effect exhibited in the surface energy, work function, interlayer relaxation, and adsorption energy of the atomic…
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…
We show from density-functional calculations that Pb(100) thin films exhibit quantum size effect with a bilayer periodicity in film energies, film relaxations, and work functions, which originate from different symmetry of the stacking…
The electron-phonon interaction in thin Ag-nanofilms epitaxially grown on Cu(111) is investigated by temperature-dependent and angle-resolved photoemission from silver quantum-well states. Clear oscillations in the electron-phonon coupling…
Electrons mediate many of the interactions between atoms in a solid. Their propagation in a material determines its thermal, electrical, optical, magnetic and transport properties. Therefore, the constant energy contours characterizing the…
Morphological instability of a planar surface ([111], [011], or [001]) of an ultra-thin metal film is studied in a parameter space formed by three major effects (the quantum size effect, the surface energy anisotropy and the surface stress)…
Our ab initio calculations of CO adsorption on several low and high miller index surfaces of Cu show that the adsorption energy increases as the coordination of the adsorption site decreases from 11 to 6, in qualitative agreement with…
The d-wave symmetry of the order parameter with zero energy gap in nodal directions stands in the way of using high-temperature superconductors for quantum applications. We investigate the symmetry of the order parameter in ultra-thin…
In nano-structures such as thin films electron confinement results in the quantization of energy levels in the direction perpendicular to the film. The discretization of the energy levels leads to the oscillatory dependence of many…
We report the thickness-dependent (in terms of atomic layers) oscillation behavior of the perpendicular upper critical field $H_{c2\perp}$ in the ultra-thin lead films at the reduced temperature ($t=T/T_c$). Distinct oscillations of the…
Size-dependent quantization of energy spectrum of conducting electrons in solids leads to oscillating dependence of electronic properties on corresponding dimension(s). In conventional metals with typical energy Fermi EF~1 eV and the charge…
The effect of random surface roughness on quantum size effect in thin films is discussed. The conductivity of quantized metal films is analyzed for different types of experimentally identified correlation functions of surface…
Quantum confinement is known to influence fermionic condensates, resulting in quantum-size oscillations of superfluid/superconducting properties. Here we show that the impact of quantum-size effects is even more dramatic. Under realistic…
We develop a theoretical framework to investigate the interplay between quantum size effect (QSE) and strain effect on the stability of metal nanofilms. The QSE and strain effect are shown to be coupled through the concept of "quantum…
Quantum shape effect appears under the size-invariant shape transformations of strongly confined structures. Such a transformation distinctively influences the thermodynamic properties of confined particles. Due to their characteristic…
A new type of quantum size effect (QSE) oscillations is predicted for films with a relatively large correlation radius of surface inhomogeneities. The effect replaces usual QSE for random inhomogeneities with Gaussian and exponential power…
We have investigated the role of the quantum size effects in the evaluation of the force caused by electromagnetic vacuum fluctuations between ultra-thin films, using the dielectric tensor derived from the particle in a box model.…