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CreatorTitleDescriptionSubjectDate
126 Liu, FengNanostressors and the nanomechanical response of a thin silicon film on an insulatorPseudomorphic three-dimensional Ge nanocrystals (quantum dots) grown on thin silicon-on-insulator substrates can induce significant bending of the silicon template layer that is local on the nanometer scale. We use molecular dynamics simulations and analytical models to confirm the local bending of...Nanostressors; Nanomechanical response; Thin silicon film2002-09
127 Liu, FengSelf-assembly of three-dimensional metal islands: nonstrained versus strained islandsA theoretical model for the Volmer-Weber growth of three-dimensional metal islands is proposed, with a dipolar island edge-edge interaction. The existence of such an island edge effect makes the island shape dependent on island size. Furthermore, it induces a stable island size against coarsening, l...Self-assembly; Three dimensional islands; Metal islands; Nonstrained islands; Strained islands; Volmer-Weber growth2002-11
128 Tiwari, AshutoshEpitaxial growth of magnetic nickel nanodots by pulsed laser depositionEpitaxial nickel magnetic nanodots were obtained by pulsed laser deposition (PLD) technique on Si (100) substrate using epitaxial TiN film as the template. Characterization methods include: high-resolution transmission electron microscopy (HRTEM), scanning transmission electron microscopy (STEM) Z-...Nanodots; TiN; Nickel2003
129 Bedrov, Dmitro; Smith, Grant D.Molecular dynamics simulation study of elastic properties of HMXAtomistic simulations were used to calculate the isothermal elastic properties for b-, a-, and d-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX). The room-temperature isotherm for each polymorph was computed in the pressure interval 0≤p≤10.6 GPa and was used to extract the initial isot...HMX; Elastic tensors; Isotropic moduli; Polymorphs; Isothermal compression; Lattice parameters2003
130 Scarpulla, MichaelMutual passivation of group IV donors and nitrogen in diluted GaNxAs1 x alloysWe demonstrate the mutual passivation phenomenon of Ge donors and isovalent N in highly mismatched alloy GaNxAs1-x doped with Ge. Layers of this alloy were formed by the sequential implantation of Ge and N ions followed by pulsed laser melting and rapid thermal annealing. The mutual passivation effe...Highly mismatched alloys; Passivation; Gallium arsenide2003
131 Tiwari, AshutoshFormation of self-assembled epitaxial nickel nanostructuresHighly orientated nickel magnetic nanoparticles were obtained by pulsed laser deposition technique on silicon (100) substrate using epitaxial titanium nitride film as the template. These nanoparticles have been characterized by conventional and high-resolution transmission electron microscopy, scann...TiN; Nickel2003
132 Scarpulla, MichaelAir shear driven flow of thin perfluoropolyether polymer filmsWe have studied the wind driven movement of thin perfluoropolyether (PFPE) polymer films on silicon wafers and CNx overcoats using the blow-off technique. The ease with which a liquid polymer film moves across a surface when sheared is described by a shear mobility xS , which can be interpreted both...Perfluoropolyether; Polymer films; Air shear; Shear mobility2003
133 Tiwari, AshutoshGrowth and characterization of TaN/TiN superlattice structuresEpitaxial B1 NaCl-structured TaN(3 nm)/TiN(2 nm) superlattice structures were grown on Si(100) substrates with a TiN buffer layer, using pulsed-laser deposition. A special target assembly was used to manipulate the thickness of each layer. X-ray diffraction, transmission electron microscopy, and ...Diffusion barriers; Copper diffusion; Tantalum nitride2003
134 Tiwari, AshutoshNanostructured DLC-Ag composites for biomedical applicationsWe have synthesized novel diamondlike carbon coatings with silver nanoparticles embedded into the DLC film. The size of silver nanoparticles that are confined into layered structures has been varied from 5 nm to 50 nm using an ingenious pulsed laser deposition technique. The size of nanoparticles wa...Diamondlike carbon coatings; Nanocrystals2003
135 Tiwari, AshutoshCopper diffusion characteristics in single crystal and polycrystalline TaNTaN has become a very promising diffusion barrier material for Cu interconnections, due to the high thermal stability requirement and thickness limitation for next generation ULSI devices. TaN has a variety of phases and Cu diffusion characteristics vary with different phases and microstructures. We...Diffusion barriers; Copper diffusion; Tantalum nitride2003
136 Tiwari, AshutoshRectifying electrical characteristics of La0.7Sr0.3MnO3/Zno heterostructureWe have fabricated a p - n junction, consisting of p-type manganite (La0.7Sr0.3MnO3) and n-type ZnO layers grown on sapphire substrate. This junction exhibits excellent rectifying behavior over the temperature range 20-300 K. Electrical characteristics of La0.7Sr0.3MnO3 (LSMO) film in this heterostr...Manganites2003
137 Scarpulla, MichaelFerromagnetic Ga1-xMnxAs produced by ion implantation and pulsed-laser meltingWe demonstrate the formation of ferromagnetic Ga1-xMnxAs films by Mn ion implantation into GaAs followed by pulsed-laser melting. Irradiation with a single excimer laser pulse results in the epitaxial regrowth of the implanted layer with Mn substitutional fraction up to 80% and effective Curie tempe...Gallium arsenide; Ferromagnetic semiconductors; Remanent magnetization2003
138 Scarpulla, MichaelSynthesis of GaNxAs1-x thin films by pulsed laser melting and rapid thermal annealing of N+-implanted GaAsWe present a systematic investigation on the formation of the highly mismatched alloy GaNxAs1-x using N1-implantation followed by a combination of pulsed laser melting and rapid thermal annealing. Thin films of GaNxAs1-x with x as high as 0.016 and an activation efficiency of the implanted N up to 5...Highly mismatched alloys; Gallium arsenide2003
139 Smith, Grant D.; Bedrov, Dmitro; Borodin, OlegQuantum-chemistry-based potential for poly(ester urethane)We have carried out extensive high-level quantum chemistry studies of the geometry, charge distribution, conformational energies, and hydrogen-bonding energies of model compounds for a family of Estane thermoplastic urethanes (TPUs). Upon the basis of these studies, we have parametrized a classical ...Estane thermoplastic urethanes; TPU; Charge distribution; Confromational energy2003
140 Liu, FengMetal-to-semiconductor transition in squashed armchair carbon nanotubesWe investigate electronic transport properties of the squashed armchair carbon nanotubes, using tight-binding molecular dynamics and the Green's function method. We demonstrate a metal-to-semiconductor transition while squashing the nanotubes and a general mechanism for such a transition. It is the ...Squashed armchair; Carbon nanotubes; Metal-to-semiconductor transition; Electronic transport; Tight-binding molecular dynamics; Squashed nanotubes2003-04
141 Smith, Grant D.; Bedrov, Dmitro; Borodin, OlegStructural relaxation and dynamic hetrogeneity in a polymer melt at attractive surfacesMolecular dynamics simulations of polymer melts at flat and structured surfaces reveal that, for the former, slow dynamics and increased dynamic heterogeneity for an adsorbed polymer is due to densification of the polymer in a surface layer, while, for the latter, the energy topography of the sur...Polymer melts; Structural relaxation; Dynamic heterogeneity; Attractive surfaces; Surface energy topography; Polymer densification2003-06
142 Liu, FengSeeing the atomic orbital: first-principles study of the effect of tip termination on atomic force microscopyWe perform extensive first-principles calculations to simulate the topographical atomic-force-microscope image of an adatom on the Si(111)-(7 X 7) surface, demonstrating the feasibility of imaging not only the atoms but also the atomic orbitals. Our comparative study of tip terminations shows that ...First-principles; Tip termination; Adatoms2003-06
143 Scarpulla, MichaelDiluted II-VI oxide semiconductors with multiple band gapsWe report the realization of a new mult-band-gap semiconductor. Zn1-yMnyOxTe1-x alloys have been synthesized using the combination of oxygen ion implantation and pulsed laser melting. Incorporation of small quantities of isovalent oxygen leads to the formation of a narrow, oxygen-derived band of ...Highly mismatched alloys; Zinc telluride2003-12
144 Tiwari, AshutoshZn0.9Co0.1O-based diluted magnetic semiconducting thin filmsHere we report a systematic study of structural, optical, and magnetic measurements on epitaxial Zn0.9Co0.1O films grown on c-plane sapphire single crystal, at various temperatures (500-650°C), using pulsed-laser deposition. The main emphasis in this work has been on the correlation of microstructu...ZnO; Cobalt2004
145 Liu, FengDetermining the adsorptive and catalytic properties of strained metal surfaces using adsorption-induced stressWe demonstrate a model for determining the adsorptive and catalytic properties of strained metal surfaces based on linear elastic theory, using first-principles calculations of CO adsorption on Au and K surfaces and CO dissociation on Ru surface. The model involves a single calculation of the adsorp...Strained metal surfaces; Adsorption-induced stress; Adsorptive properties; Catalytic properties2004
146 Tiwari, AshutoshElectrical transport in ZnO1-δ films: transition from band-gap insulator to Anderson localized insulatorWe have thoroughly investigated the effect of oxygen nonstoichiometry on the electrical transport characteristics of ZnO1−δ films. These films were grown on optical grade quartz substrates by using a pulsed laser deposition technique. In order to alter the amount of oxygen nonstoichiometry (δ), ...Anderson localized insulators2004
147 Liu, FengBending of nanoscale thin Si film induced by growth of Ge islands: hut vs. domeWe perform atomistic simulations to compute bending of freestanding nanoscale thin Si film induced by strained Ge islands. We show that a larger Ge dome island can induce smaller bending than a smaller hut island and explain the surprising experimental observation for growth of Ge islands on pattern...Bending; Nanoscale thin Si film; Ge islands; Hut islands; Dome islands; Atomistic simulations2004
148 Stringfellow, Gerald B.Use of Nitrogen to disorder GaInPSignificant changes in microstructure, surface structure, and alloy composition have been observed in GaInP with the addition of nitrogen. These effects occur due to surface changes induced by small concentrations of nitrogen. Transmission electron microscopy and photoluminescence experiments indica...Nitrogen; Alloys; Transmission2004
149 Scarpulla, MichaelSynthesis and properties of highly mismatched II-O-I alloysTernary and quaternary dilute II-VI oxides were synthesised using a highly nonequilibrium method: the combination of O ion implantation and pulsed-laser melting. CdOxTe12x thin films have been produced with x up to 0.015 and with the energy gap reduced by 0.15 eV. Optical transitions corresponding t...Highly mismatched alloys; Cadmium telluride; Zinc telluride; Anticrossing2004
150 Stringfellow, Gerald B.Nitrogen surfactant effects in GaInPThe addition of surfactant nitrogen during the growth of GaInP on 001 GaAs substrates produces significant and interesting changes in the optical and morphological properties of GaInP. In particular, multiple peaks are seen in the low temperature photoluminescence (PL) spectra of GaInP/GaInP:N he...Surfactant nitrogen; Microscopy; Crystals2004
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