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Scanning tunneling microscopy (STM) reveals unusual sharp features in otherwise defect free bismuth nanolines self-assembled on Si(001). They appear as subatomic thin lines perpendicular to the bismuth nanoline at positive biases and as…
This is the final report of a three-paper series on the K-shell photoabsorption and photoionization of trace elements, namely F, Na, P, Cl, K, Sc, Ti, V, Cr, Mn, Co, Cu and Zn. K lines and edges from such elements are observed in the X-ray…
We present a first-principles study of the atomic, electronic, and magnetic properties of two-dimensional (2D), single and bilayer ZnO in honeycomb structure and its armchair and zigzag nanoribbons. In order to reveal the dimensionality…
Cesium adsorption structures on Ag(111) were characterized in a low-temperature scanning tunneling microscopy experiment. At low coverages, atomic resolution of individual Cs atoms is occasionally suppressed in regions of an otherwise…
Capping ligands are crucial to synthesize colloidal nanoparticles with novel functional properties. However, the interaction between capping ligands and their interaction with the crystallographic surfaces of nanoparticles during colloidal…
An antiferromagnetic insulating state has been found in the zigzag phosphorene nanoribbons (ZPNRs) from a comprehensive density functional theory calculations. Comparing with other one-dimensional systems, the magnetism in ZPNRs display…
We investigated the atomic structures, Raman spectroscopic and electrical transport properties of individual graphene nanoribbons (GNRs, widths ~10-30 nm) derived from sonochemical unzipping of multi-walled carbon nanotubes (MWNTs).…
First-principles calculations reveal that the adsorption of representative first-row atoms with different electronegativity, such as lithium (Li), carbon (C) and fluorine (F), on zigzag single-walled boron nitride nanotubes (BNNTs) exhibits…
The band structure and optical dielectric function $\epsilon$ of single-walled zigzag [(3,0),(4,0),(5,0),(6,0),(8,0),(9,0),(12,0),(16,0),(20,0),(24,0)], armchair [(3,3),(4,4),(5,5),(8,8),(12,12),(15,15)], and chiral…
Using density functional theory and non-equilibrium Greens function technique, we performed theoretical investigations on the structural and transport properties of zigzag silicene nanoribbons with Stone-Wales defect. The calculated…
Mechanical strain plays a key role in the physics and operation of nanoscale semiconductor systems, including quantum dots and single-dopant devices. Here we describe the design of a nanoelectronic device where a single nuclear spin is…
We study magneto-optical (MO) properties of a semi-Dirac nanoribbon in presence of a perpendicular magnetic field using Kernel Polynomial Method (KPM) based on the Keldysh formalism in the experimental (terahertz frequency) regime. For…
Density-functional-theory calculations for the adsorption of molecular nitrogen on ruthenium surface are reported. It is found that nitrogen molecule is adsorbed while standing perpendicular to the triangular surface of ruthenium. The…
Quasi one-dimensional nanoribbons are excellent candidates for nanoelectronics, therefore here we investigate by means of density functional theory the structure and electronic properties of a new kind of 1D ribbons, namely: centered…
We use scanning tunneling microscopy (STM) and Auger electron spectroscopy to study the behavior of adsorbed phosphine (PH$_{3}$) on Si(001), as a function of annealing temperature, paying particular attention to the formation of the Si-P…
The electronic and magnetic properties of a new diluted magnetic semiconductor (DMS) Ba$_{1-x}$K$_{x}$(Zn$_{1-y}$Mn$_{y}$)$_{2}$As$_{2}$, which is isostructural to so-called 122-type Fe-based superconductors, are investigated by x-ray…
Graphene's isolation launched explorations of fundamental relativistic physics originating from the planar honeycomb lattice arrangement of the carbon atoms, and of potential technological applications in nanoscale electronics. Bottom-up…
Helical method of tube formation for band structure calculations and Hartree-Fock self-consistent field method (HF-SCF) modified for periodic solids have been applied in study of electronic properties of single-wall silicon nanotubes…
Several intriguing electronic phenomena and electric properties were discovered in three-dimensional Dirac nodal line semimetals (3D-DNLSM), which are, however, easy to be perturbed under strong spin-orbit coupling (SOC). While…
We investigate the hydrogen adsorption capacity of Na-coated carbon nanotubes (Na-SWCNTs) using first-principles electronic structure calculations at absolute temperature and pressure. A single Na atom is always found to occupy the hollow…