相关论文: Quantum size effects in the low temperature layer-…

Quantum manifestations of various properties of metallic thin films by quantum size effect (QSE) have been studied intensively. Here, using first-principles calculations, we show quantum manifestation in dielectric properties of Al(111)…

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 reflectance difference (RD) as a function of film thickness was measured during Pb deposition on Si(111)-(6x6)Au surface at 105 K. The oblique incident s- and p-polarized light with energy range 0.25-0.60 eV was used. The component of…

A theoretical study of the surface energy-loss function of freestanding Pb(111) thin films is presented, starting from the single monolayer case. The calculations are carried applying the linear response theory, with inclusion of the…

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…

Conductivity of quantized multilayer metal films is analyzed with an emphasis on scattering by rough interlayer interfaces. Three different types of quantum size effect (QSE) in conductivity are predicted. Two of these QSE are similar to…

The Pb/Si(111) thin films were simulated within the density functional theory (DFT). The well-known Perdew-Burke-Ernzerhof (PBE) version of the generalized gradient approximation (GGA) and its recent nonempirical successor Wu-Cohen (WC)…

We report on unique electronic properties in Fe-SiO2 nanocomposite thin films in the vicinity of the percolation threshold. The electronic transport is dominated by quantum corrections to the metallic conduction of the Infinite Cluster…

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…

The quantum size effect (QSE) and strain effect are two key factors influencing the surface morphology of thin films, which can increase film surface roughness through QSE-induced thickness oscillation and strain-induced island formation,…

We have studied Pb thin films as a function of the thickness up to 60 monolayers (MLs) using ab initio first principles and model calculations. Magic heights corresponding to a modulated oscillatory pattern of the energy of Pb(111) films…

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…

Generally, there are two distinct effects in modifying the properties of low-dimensional nanostructures: surface effect (SS) due to increased surface-volume ratio and quantum size effect (QSE) due to quantum confinement in reduced…

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…

Layered quasi-two-dimensional transition metal dichalcogenides (TMDCs), which can be readily made in ultrathin films, offer excellent opportunities for studying how dimensionality affects electronic structure and physical properties. Among…

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)…

When the dimension of a solid structure is reduced, there will be two emerging effects, quantum confinement and surface effect, which dominate at nanoscale. Based on first-principles calculations, we demonstrate that due to an intriguing…

Aluminum thin films are essential to the functionalities of electronic and quantum devices, where two-level systems (TLS) can degrade device performance. MBE-grown Al films may appeal to these applications due to their low TLS densities. We…

PbSe is a narrow bandgap IV-VI compound semiconductor with application in mid-wave infrared optoelectronics, thermoelectrics, and quantum devices. Alkaline earth or rare earth elements such as Sr and Eu can substitute Pb to widen the…

We present the results of a comprehensive study of magnetic, magneto-transport and structural properties of nonstoichiometric MnxSi1-x (x=0.51-0.52) films grown by the Pulsed Laser Deposition (PLD) technique onto Al2O3(0001) single crystal…