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We report first-principles results on the electronic structure of various silicene structures. For planar and simply buckled silicenes, we confirm their zero-gap nature and show a significant renormalization of their Fermi velocity by…
We present electronic structure calculations of few-layer epitaxial graphene nanoribbons on SiC(0001). Trough an atomistic description of the graphene layers and the substrate within the extended H\"{u}ckel Theory and real/momentum space…
Locally, the atomic structure in well annealed amorphous silicon appears similar to that of crystalline silicon. We address here the question whether a point defect, specifically a vacancy, in amorphous silicon also resembles that in the…
Owing to the natural compatibility with current semiconductor industry, silicon allotropes with diverse structural and electronic properties provide promising platforms for the next-generation Si-based devices. After screening 230…
We develop a theory of a pseudogap state appearing near the superconductor-insulator transition in strongly disordered metals with attractive interaction. We show that such an interaction combined with the fractal nature of the single…
Motivated by recent electron microscopy studies on the Si3N4/rare-earth oxide interfaces, the atomic and electronic structures of bare beta-Si3N4 surfaces are investigated from first principles. The equilibrium shape of a Si3N4 crystal is…
We characterize general pseudo-harmonic morphisms from a Riemannian manifold to a Hermitian manifold as pseudo horizontally weakly conformal maps with an additional property. We study to what extent we can (locally) describe these…
We report on molecular dynamics simulations of the atomic structure and diffusion processes at Al(110)/Si(001) interphase boundary created by simulated vapor deposition of Al(Si) alloy onto Si(001) substrate. An array of parallel misfit…
By using theoretical analysis and molecular dynamics simulations, we investigate the structure of colloidal crystals formed by nonmagnetic microparticles (or magnetic holes) suspended in ferrofluids (called inverse ferrofluids), by taking…
The group of automorphisms of the geometry of an integrable system is considered. The geometrical structure used to obtain it is provided by a normal form representation of integrable systems that do not depend on any additional geometrical…
We address the energetic stability of the graphene/SiC(0001) interface and the associated binding mechanism by studying a series of low-strain commensurate interface structures within a density functional scheme. Among the structures with…
In our previous work "Characterization of certain homorphic geodesic cycles on Hermitian locally symmetric manifolds of the noncompact type" in "Modern methods in Complex Analysis" Annals of Math. Studies 138 (1995) 85-118, we formulated a…
The modelling of interface migration and the associated diffusion mechanisms at the nanoscale level is a challenging issue. For many technological applications ranging from nanoelectronic devices to solar cells, more knowledge of the…
The properties of metal-semiconductor junctions are often unpredictable because of non-ideal interfacial structures, such as interfacial defects or chemical reactions introduced at junctions. Black phosphorus (BP), an elemental…
We present an ab initio study of the (001) interfaces between two insulating perovskites, the polar LaAlO3 and the nonpolar SrTiO3. We observe an insulating-to-metallic transition above a critical LaAlO3 thickness. We explain that the high…
Self-assembly in the laboratory can now yield `information-rich' nanostructures in which each component is of a distinct type and has a defined spatial position. Ensuring the thermodynamic stability of such structures requires…
A novel interaction mechanism in MOSFET structures and $GaAs/AlGaAs$ hetero-junctions between the zone electrons of the two-dimensional (2D) gas and the charged traps on the insulator side is considered. By applying a canonical…
Pions of a dark sector gauge group can be strongly interacting massive particle (SIMP) dark matter, produced by the freeze-out of $3 \to 2$ interactions, with naturally large self-interactions. We study if adding a dark photon to the set-up…
A prototypical organic photovoltaic material is a heterojunction composed of the blend of regioregular poly(3-hexylthiophene) (P3HT) and [6,6]-phenyl-C$_{61}$-butyric acid methyl ester (PCBM). Microscopic understanding of the energy…
Capillary interactions have emerged as a tool for the directed assembly of particles adsorbed at fluid-fluid interfaces, and play a role in controlling the mechanical properties of emulsions and foams. In this paper, following Davies et al.…