Atomic resolved material displacement on graphite surfaces by scanning tunnelling microscopy

Atomic scale modifications and subsequent atomic resolution imaging has been achieved on the highly oriented pyrolytic graphite surface in air. Application of short pulse voltages, above a minimum threshold voltage of 3.5 V, across the tunneling gap results in the displacement of a layer or more of atoms to form a hole and create a neighboring mound or ‘‘nanodot’’ from the displaced atoms. We have found a correlation between the hole and ‘‘nanodot’’ volume at the atomic level and observe an asymmetric displacement of material in all cases of feature creation. Nanofeatures as small as four carbon atoms at beta sites have been created. Our experimental observations are consistent with the modification process depending on the gradient in the electric field induced by the rise time of the bias pulse voltage and not the pulse duration. Interesting faceting behavior has also been observed around some hole edges. Tip bias pulsing sometimes induced a tip, and not a surface modification, resulting in a change in the observed tunneling image

Sulfur-induced c(4×4) reconstruction of the Si(001) surface studied by scanning tunneling microscopy

Scanning tunneling microscopy and low-energy electron diffraction have been used to study the adsorption and subsequent thermal desorption of molecular sulfur from the Si(001) surface. Room-temperature adsorption of sulfur resulted in the formation of an overlayer, displaying a high density of vacancies or defects, with the underlying Si(001) surface retaining the (2×1) reconstruction. Annealing this surface to 325 °C leads to the desorption of the sulfur overlayer and the appearance of coexisting c(4×4) and (2×1) surface reconstructions. Our data suggest that the c(4×4) reconstruction is an adsorbate-induced structure in which the sulfur creates defects during the desorption process. High-resolution filled- and empty-state images of the c(4×4) surface lead us to propose a missing-dimer defect model for this reconstruction

Transition-metal interactions in aluminum-rich intermetallics

The extension of the first-principles generalized pseudopotential theory (GPT) to transition-metal (TM) aluminides produces pair and many-body interactions that allow efficient calculations of total energies. In aluminum-rich systems treated at the pair-potential level, one practical limitation is a transition-metal over-binding that creates an unrealistic TM-TM attraction at short separations in the absence of balancing many-body contributions. Even with this limitation, the GPT pair potentials have been used effectively in total-energy calculations for Al-TM systems with TM atoms at separations greater than 4 AA. An additional potential term may be added for systems with shorter TM atom separations, formally folding repulsive contributions of the three- and higher-body interactions into the pair potentials, resulting in structure-dependent TM-TM potentials. Towards this end, we have performed numerical ab-initio total-energy calculations using VASP (Vienna Ab Initio Simulation Package) for an Al-Co-Ni compound in a particular quasicrystalline approximant structure. The results allow us to fit a short-ranged, many-body correction of the form a(r_0/r)^{b} to the GPT pair potentials for Co-Co, Co-Ni, and Ni-Ni interactions.Comment: 18 pages, 5 figures, submitted to PR