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Since metallic surface states on (111) noble metals are free-electron like, their propagators can be evaluated analytically. Since they are well-screened, one can use simple tight-binding formalism to study their effects. The needed phase…
We report the mechanically induced formation of a silicon-hydrogen covalent bond and its application in engineering nanoelectronic devices. We show that using the tip of a non-contact atomic force microscope (NC-AFM), a single hydrogen atom…
The interaction of silicene with Si, C, H, O, Ti atoms along with H$_2$, H$_2$O and O$_2$ molecules are investigated and the induced functionalities thereof are analyzed using first principles density functional theory. Si adatom initially…
The state of the art ab initio calculations reveal the effect of a scanning tunnelling microscopy tip on magnetic properties and conductance of a benzene-adatom sandwich on Cu(001). We concentrate on a benzene-Co system interacting with a…
Stepped well-ordered semiconductor surfaces are important as nanotemplates for the fabrication of one-dimensional nanostructures which are candidates of intriguing electronic properties. Therefore a detailed understanding of the underlying…
We have carried out an ab-initio study of $\alpha$-Sn (111), with the aim of predicting and understanding its structure, reconstructions, and electronic states. We consider a variety of structural possibilities, and optimize them by moving…
We study the magnetic properties of the adatom systems on a semiconductor surface Si(111):\{C,Si,Sn,Pb\} - ($\sqrt{3} \times \sqrt{3}$). On the basis of all-electron density functional theory calculations we construct effective low-energy…
The phase diagram of adsorbate-induced row-type-alignments, such as missing-row reconstructions induced by adsorbate-atoms on the FCC(110) surface, is calculated by the Blume-Emmery-Griffiths (BEG) model. In the model, we introduce…
The force between two interacting particles as a function of distance is one of the most fundamental curves in science. In this regard, Atomic Force Microscopy (AFM) represents the most powerful tool in nanoscience but with severe limits…
Molecular dynamics and parallel-replica dynamics simulations are applied to investigate the atomic structures and diffusion processes at {\text{Al}\{111\}}\parallel{\text{Si}}\{111\} interphase boundaries constructed by simulated vapor…
In molecular nanotechnology, a single molecule is envisioned to act as the basic building block of electronic devices. Such devices may be of special interest for organic photovoltaics, data storage, and smart materials. However, more often…
We report an example that demonstrates the clear interdependence between surface-supported reactions and molecular adsorption configurations. Two biphenyl-based molecules with two and four bromine substituents, i.e. 2,2-dibromo-biphenyl…
Intercalation of two dimensional materials, particularly transition metal dichalcogenides, is a noninvasive way to modify electronic, optical and structural properties of these materials. However, research of these atomic-scale phenomena…
Scattering scanning near-field optical microscopy (s-SNOM) is a promising technique for overcoming Abbe diffraction limit and substantially enhancing the spatial resolution in spectroscopic imaging. The s-SNOM works by exposing an atomic…
Fundamental interest for 2D electron gas (2DEG) systems has been recently renewed with the advent of 2D materials and their potential high-impact applications in optoelectronics. Here, we investigate a 2DEG created by the electron transfer…
During the course of atomic transport in a host material, impurity atoms need to surmount an energy barrier driven by thermodynamic bias or at ultra-low temperatures by quantum tunneling. In the present article we demonstrate using…
Storing and accessing information in atomic-scale magnets requires magnetic imaging techniques with single-atom resolution. Here, we show simultaneous detection of the spin-polarization and exchange force, with or without the flow of…
Accessing, controlling and understanding nanoscale friction and dissipation is a crucial issue in nanotechnology, where moving elements are central. Recently, ultra-sensitive noncontact pendulum Atomic Force Microscope (AFM) succeeded in…
The formation mechanisms of evaporated Pd islands on the reconstructed Au(111) $22 /times /sqrt{3}$ herringbone surface have been here studied by Scanning Tunneling Microscopy (STM) at room temperature. Atomically resolved STM images at the…
While the phenomenon of metal substrate adatom incorporation into molecular overlayers is generally believed to occur in several systems, the experimental evidence for this relies on the interpretation of scanning tunnelling microscopy…