Related papers: One-Dimensional Potassium Chains on Silicon Nanori…
Graphene nanoribbons (GNRs) have attracted a strong interest from researchers worldwide, as they constitute an emerging class of quantum-designed materials. The major challenges towards their exploitation in electronic applications include…
Recent experiments on hydrogenated amorphous silicon using infrared absorption spectroscopy have indicated the presence of mono- and divacancy in samples for concentration of up to 14\% hydrogen. Motivated by this observation, we study the…
Nanowire heterostructures define high-quality few-electron quantum dots for nanoelectronics, spintronics and quantum information processing. We use a cooled scanning probe microscope (SPM) to image and control an InAs quantum dot in an…
Micron scale silicon nitride (SiN_x) microdisk optical resonators are demonstrated with Q = 3.6 x 10^6 and an effective mode volume of 15 (\lambda / n)^3 at near visible wavelengths. A hydrofluoric acid wet etch provides sensitive tuning of…
We predict the magnetic and electronic properties of a novel metal-organic framework. By combining density functional theory and density matrix renormalization group approaches, we find the diatomic Kagome crystal structure of the…
We performed an extensive first-principles study of nanowires in various pentagonal structures by using pseudopotential plane wave method within the density functional theory. Our results show that nanowires of different types of elements,…
We present the first scanning tunneling microscopy (STM) images of hydrogenic acceptor wave functions in silicon. These acceptor states appear as square ring-like features in STM images and originate from near-surface defects introduced by…
Heteroatom doping is an important method for engineering graphene nanoribbons (GNRs) because of its ability to modify electronic properties by introducing extra electrons or vacancies. However, precisely integrating oxygen atoms into the…
Based on first-principles calculations, we predict that nitrogen atoms can assemble into a single-layer double kagome lattice (DKL), which possesses the characteristics of an intrinsic direct band gap semiconductor, boasting a substantial…
First-principles calculations using density functional theory and two methods in comparison, Quantum ESPRESSO and Siesta, are done on large supercells which describe different placements of two identical adsorbed alkali metal atoms (of…
Using ab-initio calculations based on density functional theory, we investigate the effects of vacancies on the electronic and magnetic properties of zigzag SiC nanoribbons (Z-SiCNR). Single (V_C and V_Si) and double (V_SiV_Si and V_SiV_C)…
The effects of lattice distortion and chemical disorder on charge transport properties of two-terminal zigzag phosphorene nanoribbons (zPNRs), which shows resonant tunneling behavior under an electrical applied bias, are studied. Our…
We study the distribution of hydrogen and various hydride configurations in realistic models of a-Si:H for two different concentration generated via experimentally constrained molecular relaxation approach (ECMR) [1]. The microstructure…
We develop an analytical approach to the exciton optical absorption for narrow gap armchair graphene nanoribbons (AGNR). We focus on the regime of dominant size quantization in combination with the attractive electron-hole interaction. An…
Monolayer B$_2$S has been recently unveiled as a desirable honeycomb monolayer with an anisotropic Dirac cone. We investigate the Ruderman-Kittel-Kasuya-Yoshida (RKKY) interaction, between two magnetic impurity moments in…
Based on first-principles calculation and analysis of crystal symmetries, we propose a kind of hourglass-like nodal net (HNN) semimetal in centrosymmetric Ag2BiO3 that is constructed by two hourglass-like nodal chains (HNCs) at mutually…
The atomic structure of well-ordered single steps on the Si(111)-\sqrt{3}\times\sqrt{3}-Sn surface and the dynamics of Sn adatoms in the vicinity of these steps was studied. The work was performed using low-temperature scanning tunneling…
In three dimensions, quasi-one-dimensional (Q1D) transport has traditionally been associated with systems featuring a Q1D chain structure. Here, based on first-principle calculations, we go beyond this understanding to show that the Q1D…
Electron conduction through quasi-one-dimensional (1D) indium atomic wires on silicon (the Si(111)-4x1-In reconstruction) is clarified with the help of local structural analysis using scanning tunneling microscopy. The reconstruction has a…
First-principles calculations reveal half metallicity in zigzag boron nitride (BN) nanoribbons (ZBNNRs). When the B edge, but not the N edge, of the ZBNNR is passivated, despite being a pure $sp$-electron system, the ribbon shows a giant…