Related papers: Interrelation of work function and surface stabili…
Using density functional theory calculations, we investigated the properties of few-layer silicene nanosheets, namely bilayers and trilayers, functionalized with group-III or group-V atoms of the periodic table. We considered the…
Using sedimentation to obtain precisely controlled packings of noncohesive spheres, we find that the volume fraction $\phi_{\rm RLP}$ of the loosest mechanically stable packing is in an operational sense well defined by a limit process.…
Surfaces of rutile-like RuO2, especially the most stable (110) surface, are important for catalysis, sensing and charge storage applications. Structure, chemical composition, and properties of the surface depend on external conditions.…
Phonon spectrum of cubic barium zirconate is calculated from first principles using the density functional theory. Unstable phonon mode with the $R_{25}$ symmetry in the phonon spectrum indicates an instability of the cubic structure with…
The electron dynamics of the topological surface state on Bi2Se3(111) is investigated by temperature-dependent angle-resolved photoemission. The electron-phonon coupling strength is determined in a spectral region for which only intraband…
The Phi- relationship also known as Phi-factor appears in a number of lattice structures, mostly considering the lines within several separate circles or polygons. The paper considers a regular hexagonal tessellation as a lattice with the…
Room temperature ionic liquids (ILs) at solid surfaces have been recognized for their significant interfacial properties in electrochemical and electronic devices. To ascertain the interface effects, we investigate dynamical and structural…
This paper presents a new kind of instability when inserting a soluble fiber into liquid. After wetting and dissolving the fiber by the liquid, the moving contact line (MCL) spontaneously loses stability. Because the sculpted shape from…
We study the dipole layer formed at metal-organic interfaces by means of first-principles calculations. Interface dipoles are monitored by calculating the work function change of Au, Ag, Al, Mg and Ca surfaces upon adsorption of a monolayer…
Results on the upper and lower semicontinuity of functionals defined on spaces of convex and more general functions are established. In particular, the following result is obtained. Let $\phi(v; \cdot)$ be the density of the absolutely…
A modification of the surface structure of the hybrid coating TiN/Al_{2}O_{3} with a low-energy high-current electron beam (NCEB) is performed. The surface roughness is considered as a function of beam current. Surfaces of the obtained…
We determine the stability conditions for a radially symmetric noncommutative scalar soliton at finite noncommutivity parameter $\theta$. We find an intriguing relationship between the stability and existence conditions for all level-1…
One prominent structural feature of ionic liquids near surfaces is formation of alternating layers of anions and cations. However, how this layering responds to applied potential is poorly understood. We focus on the structure of…
The alignment of the Fermi level of a metal electrode within the gap of the highest occupied and lowest unoccupied orbital of a molecule is a key quantity in molecular electronics. Depending on the type of molecule and the interface…
Covalently functionalizing mechanical exfoliated monolayer and bilayer graphenides with {\lambda}-iodanes led to the discovery that the monolayers supported on a SiO2 substrate are considerably more reactive than bilayers as demonstrated by…
For many applications, it is important to measure the local work function of a surface with high lateral resolution. Low-energy electron microscopy is regularly employed to this end since it is, in principle, very well suited as it combines…
Despite several first principles studies, the relative stability of BN polymorphs remains controversial. The stable polymorph varies between the cubic (c-BN) and hexagonal (h-BN) depending on the van der Waals (vdW) dispersion approximation…
We investigate the stability of possible order parameter configurations in clean layered heterostructures of the $SFS...FS$ type, where $S$ is a superconductor and $F$ a ferromagnet. We find that for most reasonable values of the geometric…
We present the results of an ab initio study of magnetic properties of Fe, Co and Ni surfaces. In particular, we discuss their electronic structure and magnetic exchange interactions (Jij), as obtained by means of a combination of density…
The structure, vibrational dynamics and thermodynamics of a chiral surface, Cu(532), has been calculated using a local approach and the harmonic approximation, with interatomic potentials based on the embedded atom method. The relaxation of…