Showing papers by "Robert S Averback published in 2000"

Nanoscale pattern formation in Pt thin films due to ion-beam-induced dewetting

Abstract: Atomic force microscopy is used to characterize the evolution of film morphology produced by heavy-ion bombardment. Pt films, 3 and 5 nm thick, are deposited on SiO2 substrates and subsequently bombarded by 800 keV Kr+. Ion doses of >2×1014 initiate pattern formation and the dewetting of Pt films from the substrate. The film morphology becomes increasingly disconnected with increasing dose; at the highest doses, (∼2×1016 cm−2), isolated nanoparticles are formed with a uniform spacing. The results are explained by the nucleation of bare substrate patches and subsequent coarsening of the morphology by the molten zones created by individual Kr+ impacts.

Atomistic simulation of diffuse x-ray scattering from defects in solids

Abstract: Diffuse x-ray scattering is a powerful means to study the structure of defects in crystalline solids. The traditional analysis of diffuse x-ray scattering experiments relies on analytical and numerical methods which are not well suited for studying complicated defect configurations. We present here an atomistic simulation method by which the diffuse x-ray scattering can be calculated for an arbitrary finite-sized defect in any material where reliable interatomic force models exist. We present results of the method for point defects, defect clusters and dislocations in semiconductors and metals, and show that surface effects on diffuse scattering, which might be important for the investigation of shallow implantation damage, will be negligible in most practical cases. We also compare the results with x-ray experiments on defects in semiconductors to demonstrate how the method can be used to understand complex damage configurations.

Heat spike effects on ion beam mixing

Abstract: Although ion beam mixing has been studied intensively over the last 20 years, many questions about the fundamental mechanisms involved during mixing remain unresolved. We review here recent simulation and experimental work which provides answers to some of the lingering questions about mixing in elemental materials. The results make clear the specific role which thermodynamic material properties, the nature of atomic bonding and electron–phonon coupling can have on ion beam mixing. Agreement obtained by direct comparison of simulated and experimental mixing coefficients gives confidence in our results, indicating that the experimental mixing values in heavy metals can be understood predominantly on the basis of atomic motion in liquid-like zones, and that the role of the electron–phonon coupling on ion beam mixing is much smaller than previously thought.

Molecular-dynamics simulations of energetic C60 impacts on (2×1)-(100) silicon

Abstract: Single impacts of energetic C60 clusters on (2×1)-(100) silicon substrates are studied by molecular-dynamics simulations. The role of impact energies and internal cluster energy are investigated in detail. Six different energy regimes can be identified at the end of the ballistic phase: At thermal energies below 20 eV the fullerene cages undergo elastic deformation, while impinging on the surface, and are mostly chemisorpted on top of the (2×1)-dimer rows. Between 20 and 100 eV the cage structure is preserved after the collision, but the cluster comes to rest within a few monolayers of the silicon surface. At energies of 100–500 eV the cluster partially decomposes and small coherent carbon caps are embedded in the surface. At higher energies up to 1.5 keV complete decomposition of the fullerene cluster occurs and an amorphous zone is formed in the subsurface area. At energies greater than approximately 1.5 keV craters form and above 6 keV sputtering becomes significant. In all cases the substrate temperature is of minor influence on the final result, but the projectile temperature is important for impacts at lower energies (<1.5 keV). For high energy impacts the ballistics resemble that of single atom impacts. Nearly 1:1 stoichiometry is obtained for impact energies around 1 keV. These results reveal an interesting possibility for controlled implantation of C in Si at high local concentrations, which might allow the formation of silicon carbide.

Classical interatomic potential for Nb-alumina interfaces

Abstract: A modified-embedded-atom-method (MEAM) potential is derived for the ternary system Al-O-Nb in order to simulate the model oxide-metal interface sapphire-niobium. In the present work, MEAM parameters for Al and O given by Baskes were adopted, and the parameters for Nb are adjusted to match experimental data for pure Nb and calculated properties for Nb oxides and aluminides. The properties for niobium oxides and aluminides were obtained from local- density-functional-theory (LDFT) calculations. The resultant potential was tested in simulations for the Nb(111)/α -alumina(0001) interface. MEAM predictions of the work of separation and the interlayer relaxations for two interface terminations are in excellent agreement with LDFT calculations. The MEAM potential therefore appears suitable for large-scale computer simulation of oxide-metal interface properties.

Strain effects in Ge surface cascades

Abstract: By using classical molecular dynamics technique we have simulated the effects of 5 keV Xe atoms impinging on the strained Ge(1 0 0) 2×1 surface. We found that large adatom islands are formed on top of the amorphous zones created by the cascades. We also found that lattice atoms around the molten zone move radially inwards and thus cause strain relief in the sample.

Reactive cluster epitaxy: CoSi2 nanoparticles on (111) Si

Abstract: The formation of epitaxial CoSi2 islands of nanoscopic dimensions is reported using the technique of reactive cluster deposition. Co clusters in the size range 5-50nm were synthesized by sputtering a high purity Co target inside a UHV sputtering chamber. The clusters were then deposited on the reconstructed Si (111) surface. Upon annealing the particles reacted with the Si substrate to form epitaxial CoSi2. Our observations were made using a JEOL 200CX transmission electron microscope modified for in-situ sputtering and ultrahigh vacuum conditions.