Related papers: First-principles study on scanning tunneling micro…
A scanning tunneling microscopy (STM) image of a hydrogen-adsorbed Si(001) surface is studied using first-principles electron-conduction calculation. The resultant STM image and scanning tunneling spectroscopy spectra are in agreement with…
The adequate interpretation of scanning tunneling microscopy (STM) images of the clean Si(001) surface is presented. We have performed both STM observations and {\it ab initio} simulations of STM images for buckled dimers on the clean…
We study sub-surface arsenic dopants in a hydrogen terminated Si(001) sample at 77 K, using scanning tunnelling microscopy and spectroscopy. We observe a number of different dopant related features that fall into two classes, which we call…
The structure of single atoms in real space is investigated by scanning tunneling microscopy. Very high resolution is possible by a dramatic reduction of the tip-sample distance. The instabilities which are normally encountered when using…
We simulate the liquid silicon surface with first-principles molecular dynamics in a slab geometry. We find that the atom-density profile presents a pronounced layering, similar to those observed in low-temperature liquid metals like Ga and…
We present an improved way for imaging the local density of states with a scanning tunneling microscope, which consists in mapping the surface topography while keeping the differential conductance (d$I$/d$V$) constant. When archetypical…
Scanning tunnelling microscopy (STM) is a powerful technique for imaging surfaces with atomic resolution, providing insight into physical and chemical processes at the level of single atoms and molecules. A regular task of STM image…
The phototransport properties of plasma deposited highly crystalline undoped hydrogenated microcrystalline silicon films were studied by measuring the steady state photoconductivity (SSPC) as a function of temperature and light intensity.…
The steady state photoconductivity as a function of temperature and light intensity was measured on plasma deposited highly crystalline undoped hydrogenated microcrystalline silicon films possessing different thicknesses and…
Recent experimental studies have shown that well-annealed, unstrained Si(105) surfaces appear disordered and atomically rough when imaged using scanning tunnelling microscopy (STM). We construct new models for the Si(105) surface that are…
We present a very efficient and accurate method to simulate scanning tunneling microscopy images and spectra from first-principles density functional calculations. The wave-functions of the tip and sample are calculated separately on the…
We prove that scanning tunneling microscopy (STM) images of sub-surface Mn atoms in GaAs are formed by hybridization of the impurity state with intrinsic surface states. They cannot be interpreted in terms of bulk-impurity wavefunction…
The atomic and electronic structure of positively charged P vacancies on InP(110) surfaces is determined by combining scanning tunneling microscopy, photoelectron spectroscopy, and density-functional theory calculations. The vacancy…
We report on the investigation of the atomic and electronic structures of a clean Si(331)-(12$\times$1) surface using a first-principles approach with both plane wave and strictly localized basis sets. Starting from the surface structure…
We have used a low-temperature scanning tunneling microscope (STM) to study the surface of heavily doped semiconductor InAs crystals. The crystals are cleaved in situ along the (110) plane. Apart from atomically flat areas, we also observe…
The relaxed geometries and electronic properties of the hydrogenated phases of the Si(111)-7$\times$7 surface are studied using first-principles molecular dynamics. A monohydride phase, with one H per dangling bond adsorbed on the bare…
Scanning tunneling microscopy is the method of choice for characterizing charge density waves by imaging the variation in atomic-scale contrast of the surface. Due to the measurement principle of scanning tunneling microscopy, the…
Scanning tunneling microscopy (STM) is a fundamental tool for determination of the surface atomic structure. However, the interpretation of high resolution microscopy images is not straightforward. In this paper we provide a physical…
We present new atomistic models of amorphous silicon (a-Si) and hydrogenated amorphous silicon (a-Si:H) surfaces. The a-Si model included 4096 atoms and was obtained using local orbital density functional theory. By analyzing a slab model…
We use accurate first principles methods to study the network dynamics of hydrogenated amorphous silicon, including the motion of hydrogen. In addition to studies of atomic dynamics in the electronic ground state, we also adopt a simple…