Related papers: Atomic defects of the hydrogen-terminated Silicon(…
The ab initio calculation with the density functional theory and plane-wave bases is carried out for stepped Si(111)-2x1 surfaces that were predicted in a cleavage simulation by the large-scale (order-N) electronic structure theory (T.…
Systematic studies of the gradual fabrication by means of carbon ion-implantation of high-quality 6H-SiC layers on silicon surfaces have been carried out. The fluence of carbon ions varied from 5*10^15 cm-2 to 10^17 cm-2. Results of…
Manipulating materials with atomic-scale precision is essential for the development of next-generation material design toolbox. Tremendous efforts have been made to advance the compositional, structural, and spatial accuracy of material…
We have analyzed by Scanning Tunnelling Microscopy (STM) thin films made of few (3-5) graphene layers grown on the C terminated face of 6H-SiC in order to identify the nature of the azimuthal disorder reported in this material. We observe…
A silicene-like polymorph of the Si111 7x7 surface is proposed that resolves numerous experimental paradoxes and inconsistencies arising over the past 34 years. An analysis of the three established surface state charge densities from atom…
This paper describes a prototype software and hardware platform to provide support to field operators during the inspection of surface defects of non-metallic pipes. Inspection is carried out by video filming defects created on the same…
The basic properties of point defects (atomic geometry, the position of charge-transfer levels, and formation energies) on the (110) surface of GaAs, GaP, and InP have been calculated employing density-functional theory. Based on these…
Detection of surface defects is one of the most important issues in the field of image processing and machine vision. In this article, a method for detecting surface defects based on energy changes in co-occurrence matrices is presented.…
Atomically precise donor-based quantum devices are a promising candidate for scalable solid-state quantum computing. Atomically precise design and implementation of the tunnel coupling in these devices is essential to realize gate-tunable…
The investigation of the electronic properties of semiconductor surfaces using scanning tunnelling spectroscopy (STS) is often hindered by non-equilibrium transport of the injected charge carriers. We propose a correction method for the…
Puzzling trends in surface stress were reported experimentally for Ni/W(110) as a function of Ni coverage. In order to explain this behavior, we have performed a density-functional-theory study of the surface stress and atomic structure of…
The effect of different surface defects on the atomic and electronic structures of cubic $\beta$-SiC(110) surface are studied by means of a first principles calculation based on Density Functional Theory using the SIESTA code. In the…
The sp${}^3$ dangling bond on the diamond surface plays a critical role in the performance and fabrication of diamond quantum technologies. For the former, the magnetic and electric properties of this defect can impede the performance of…
The large interest in the properties of transition metal surfaces has been recently fostered by inelastic helium atom scattering experiments carried out by Hulpke and Luedecke. Sharp and giant anomalies in the surface phonon dispersion…
In this review we present recent theoretical results concerning investigations of single subsurface defects by means of a scanning tunneling microscope (STM). These investigations are based on the effect of quantum interference between the…
Diffraction of atoms from surfaces provides detailed insights into structures, interactions, and dynamical processes. However, currently the method is limited to measurements in reflection - diffraction through materials has only been…
Structural disorder causes materials surface electronic properties, e.g. work function ($\phi$) to vary spatially, yet it is challenging to prove exact causal relationships to underlying ensemble disorder, e.g. roughness or granularity. For…
The coherence of quantum dot qubits fabricated in semiconductors is often limited by charge noise from defects in gate dielectrics, which are material- and process-dependent. Characterizing these defects is an important step towards…
Atomic modulations of two-dimensional materials using scanning tunneling microscope (STM) tip-induced forces modifies their mechanical and electrical properties. In situ topographic and spectroscopic probing through electrical tunneling has…
Two dimensional (2D) transition-metal dichalcogenide (TMD) based semiconductors have generated intense recent interest due to their novel optical and electronic properties, and potential for applications. In this work, we characterize the…