Methane chemistry involved in a low-pressure electron cyclotron wave resonant plasma discharg

A low-pressure methane plasma generated by electron cyclotron wave resonance was characterized in terms of electron temperature, plasma density and composition. Methane plasmas were commonly used in the deposition of hydrogenated amorphous carbon thin films. Little variation in the plasma chemistry was observed by mass spectrometry measurements of the gas phase with increasing electron temperature. The results show that direct electron-impact reactions exert greater influence on the plasma chemistry than secondary ion-neutral reactions.

Ultra-high density carbon nanotubes on Al-Cu for advanced vias

An integration scheme for carbon nanotube via interconnects is described to produce nanotube densities of 2.5 1012 tubes/cm2 or 8 1012 walls/cm2 on metallic Al-Cu lines, an order of magnitude beyond the previous state of art, and, for first time, close to that needed for implementation. ©2010 Crown.

(Ti,Al)N Film On Normalized T8 Carbon Tool Steel Prepared By Pulsed High Energy Density Plasma Technique

Under optimized operating parameters, a hard and wear resistant ( Ti,Al)N film is prepared on a normalized T8 carbon tool steel substrate by using pulsed high energy density plasma technique. Microstructure and composition of the film are analysed by x-ray diffraction, x-ray photoelectron spectroscopy, Auger electron spectroscopy and scanning electron microscopy. Hardness profile and tribological properties of the film are tested with nano-indenter and ring-on-ring wear tester, respectively. The tested results show that the microstructure of the film is dense and uniform and is mainly composed of ( Ti,Al)N and AlN hard phases. A wide transition interface exists between the film and the normalized T8 carbon tool steel substrate. Thickness of the film is about 1000 nm and mean hardness value of the film is about 26GPa. Under dry sliding wear test conditions, relative wear resistance of the ( Ti,Al)N film is approximately 9 times higher than that of the hardened T8 carbon tool steel reference sample. Meanwhile, the ( Ti,Al)N film has low and stable friction coefficient compared with the hardened T8 carbon tool steel reference sample.

Thickness And Component Distributions Of Yttrium-Titanium Alloy Films In Electron-Beam Physical Vapor Deposition

Thickness and component distributions of large-area thin films are an issue of international concern in the field of material processing. The present work employs experiments and direct simulation Monte Carlo (DSMC) method to investigate three-dimensional low-density, non-equilibrium jets of yttrium and titanium vapor atoms in an electron-beams physical vapor deposition (EBPVD) system furnished with two or three electron-beams, and obtains their deposition thickness and component distributions onto 4-inch and 6-inch mono-crystal silicon wafers. The DSMC results are found in excellent agreement with our measurements, such as evaporation rates of yttrium and titanium measured in-situ by quartz crystal resonators, deposited film thickness distribution measured by Rutherford backscattering spectrometer (RBS) and surface profilometer and deposited film molar ratio distribution measured by RBS and inductively coupled plasma atomic emission spectrometer (ICP-AES). This can be taken as an indication that a combination of DSMC method with elaborate measurements may be satisfactory for predicting and designing accurately the transport process of EBPVD at the atomic level.

The effects of coil current distribution in a cylindrical electron-cyclotron-resonance reactor

Using a 2-D hybrid model, the authors have found that external currents play an important role in the plasma parameters in the reactor. The plasma density, temperature and electrostatic potential would be significantly influenced by the applied external currents.

Behavior of ar plasma formed in a high-density plasma source - an ecr reactor

In order to develop the ultra-large scale integration(ULSI), low pressure and high density plasma apparatus are required for etching and deposit of thin films. To understand critical parameters such as the pressure, temperature, electrostatic potential and energy distribution of ions impacting on the wafer, it is necessary to understand how these parameters are influenced by the power input and neutral gas pressure. In the present work, a 2-D hybrid electron fluid-particle ion model has been developed to simulate one of the high density plasma sources-an Electron Cyclotron Resonance (ECR) plasma system with various pressures and power inputs in a non-uniform magnetic field. By means of numerical simulation, the energy distributions of argon ion impacting on the wafer are obtained and the plasma density, electron temperature and plasma electrostatic potential are plotted in 3-D. It is concluded that the plasma density depends mainly on both the power input and neutral gas pressure. However, the plasma potential and electron temperature can hardly be affected by the power input, they seem to be primarily dependent on the neutral gas pressure. The comparison shows that the simulation results are qualitatively in good agreement with the experiment measurements.

Electron acceleration by an intense short-pulse laser in underdense plasma

Electron acceleration from the interaction of an intense short-pulse laser with low density plasma is considered. The relation between direct electron acceleration within the laser pulse and that in the wake is investigated analytically. The magnitude and location of the ponderomotive-force-caused charge separation field with respect to that of the pulse determine the relative effectiveness of the two acceleration mechanisms. It is shown that there is an optimum condition for acceleration in the wake. Electron acceleration within the pulse dominates as the pulse becomes sufficiently short, and the latter directly drives and even traps the electrons. The latter can reach ultrahigh energies and can be extracted by impinging the pulse on a solid target. (C) 2003 American Institute of Physics.

Direct acceleration of solid-density plasma bunch by ultraintense laser

The interaction of a petawatt laser with a small solid-density plasma bunch is studied by particle-in-cell simulation. It is shown that when irradiated by a laser of intensity >10(21) W/cm(2), a dense plasma bunch of micrometer size can be efficiently accelerated. The kinetic energy of the ions in the high-density region of the plasma bunch can exceed ten MeV at a density in the 10(23)-cm(-3) level. Having a flux density orders of magnitude higher than that of the traditional charged-particle pulses, the laser-accelerated plasma bunch can have a wide range of applications. In particular, such a dense energetic plasma bunch impinging on the compressed fuel in inertial fusion can significantly enhance the nuclear-reaction cross section and is thus a promising alternative for fast ignition.

Electron self-injection and acceleration driven by a tightly focused intense laser beam in an underdense plasma

A scheme for electron self-injection in the laser wakefield acceleration is proposed. In this scheme, the transverse wave breaking of the wakefield and the tightly focused geometry of the laser beam play important roles. A large number of the background electrons are self-injected into the acceleration phase of the wakefield during the defocusing of the tightly focused laser beam as it propagates through an underdense plasma. Particle-in-cell simulations performed using a 2D3V code have shown generation of a collimated electron bunch with a total number of 1.4 x 109 and energies up to 8 MeV. (C) 2005 American Institute of Physics.

Theory of ozone isotopic effects and various electron transfer reactions

Three separate topics, each stimulated by experiments, are treated theoretically in this dessertation: isotopic effects of ozone, electron transfer at interfaces, and intramolecular directional electron transfer in a supramolecular system.

The strange mass-independent isotope effect for the enrichment of ozone, which has been a puzzle in the literature for some 20 years, and the equally puzzling unconventional strong mass-dependent effect of individual reaction rate constants are studied as different aspects of a symmetry-driven behavior. A statistical (RRKM-based) theory with a hindered-rotor transition state is used. The individual rate constant ratios of recombination reactions at low pressures are calculated using the theory involving (1) small deviation from the statistical density of states for symmetric isotopomers, and (2) weak collisions for deactivation of the vibrationally excited ozone molecules. The weak collision and partitioning among exit channels play major roles in producing the large unconventional isotope effect in "unscrambled" systems. The enrichment studies reflect instead the non-statistical effect in "scrambled" systems. The theoretical results of low-pressure ozone enrichments and individual rate constant ratios obtained from these calculations are consistent with the corresponding experimental results. The isotopic exchange rate constant for the reaction ^(16)O + ^(18)O ^(18)O→+ ^(16)O ^(18)O + ^(18)O provides information on the nature of a variationally determined hindered-rotor transition state using experimental data at 130 K and 300 K. Pressure effects on the recombination rate constant, on the individual rate constant ratios and on the enrichments are also investigated. The theoretical results are consistent with the experimental data. The temperature dependence of the enrichment and rate constant ratios is also discussed, and experimental tests are suggested. The desirability of a more accurate potential energy surface for ozone in the transition state region is also noted.

Electron transfer reactions at semiconductor /liquid interfaces are studied using a tight-binding model for the semiconductors. The slab method and a z-transform method are employed in obtaining the tight-binding electronic structures of semiconductors having surfaces. The maximum electron transfer rate constants at Si/viologen^(2-/+) and InP /Me_(2)Fc^(+/O) interfaces are computed using the tight-binding type calculations for the solid and the extended-Huckel for the coupling to the redox agent at the interface. These electron transfer reactions are also studied using a free electron model for the semiconductor and the redox molecule, where Bardeen's method is adapted to calculate the coupling matrix element between the molecular and semiconductor electronic states. The calculated results for maximum rate constant of the electron transfer from the semiconductor bulk states are compared with the experimentally measured values of Lewis and coworkers, and are in reasonable agreement, without adjusting parameters. In the case of InP /liquid interface, the unusual current vs applied potential behavior is additionally interpreted, in part, by the presence of surface states.

Photoinduced electron transfer reactions in small supramolecular systems, such as 4-aminonaphthalimide compounds, are interesting in that there are, in principle, two alternative pathways (directions) for the electron transfer. The electron transfer, however, is unidirectional, as deduced from pH-dependent fluorescence quenching studies on different compounds. The role of electronic coupling matrix element and the charges in protonation are considered to explain the directionality of the electron transfer and other various results. A related mechanism is proposed to interpret the fluorescence behavior of similar molecules as fluorescent sensors of metal ions.

Intense laser beam guiding in self-induced electron cavitation channel in underdense plasmas

In underdense plasmas, the transverse ponderomotive force of an intense laser beam with Gaussian transverse profile expels electrons radially, and it can lead to an electron cavitation. An improved cavitation model with charge conservation constraint is applied to the determination of the width of the electron cavity. The envelope equation for laser spot size derived by using source-dependent expansion method is extended to including the electron cavity. The condition for self-guiding is given and illuminated by an effective potential for the laser spot size. The effects of the laser power, plasma density and energy dissipation on the self-guiding condition are discussed.

Advanced density functional theory methods for materials science

In this work we chiefly deal with two broad classes of problems in computational materials science, determining the doping mechanism in a semiconductor and developing an extreme condition equation of state. While solving certain aspects of these questions is well-trodden ground, both require extending the reach of existing methods to fully answer them. Here we choose to build upon the framework of density functional theory (DFT) which provides an efficient means to investigate a system from a quantum mechanics description.

Zinc Phosphide (Zn₃P₂) could be the basis for cheap and highly efficient solar cells. Its use in this regard is limited by the difficulty in n-type doping the material. In an effort to understand the mechanism behind this, the energetics and electronic structure of intrinsic point defects in zinc phosphide are studied using generalized Kohn-Sham theory and utilizing the Heyd, Scuseria, and Ernzerhof (HSE) hybrid functional for exchange and correlation. Novel 'perturbation extrapolation' is utilized to extend the use of the computationally expensive HSE functional to this large-scale defect system. According to calculations, the formation energy of charged phosphorus interstitial defects are very low in n-type Zn₃P₂ and act as 'electron sinks', nullifying the desired doping and lowering the fermi-level back towards the p-type regime. Going forward, this insight provides clues to fabricating useful zinc phosphide based devices. In addition, the methodology developed for this work can be applied to further doping studies in other systems.

Accurate determination of high pressure and temperature equations of state is fundamental in a variety of fields. However, it is often very difficult to cover a wide range of temperatures and pressures in an laboratory setting. Here we develop methods to determine a multi-phase equation of state for Ta through computation. The typical means of investigating thermodynamic properties is via ’classical’ molecular dynamics where the atomic motion is calculated from Newtonian mechanics with the electronic effects abstracted away into an interatomic potential function. For our purposes, a ’first principles’ approach such as DFT is useful as a classical potential is typically valid for only a portion of the phase diagram (i.e. whatever part it has been fit to). Furthermore, for extremes of temperature and pressure quantum effects become critical to accurately capture an equation of state and are very hard to capture in even complex model potentials. This requires extending the inherently zero temperature DFT to predict the finite temperature response of the system. Statistical modelling and thermodynamic integration is used to extend our results over all phases, as well as phase-coexistence regions which are at the limits of typical DFT validity. We deliver the most comprehensive and accurate equation of state that has been done for Ta. This work also lends insights that can be applied to further equation of state work in many other materials.

Thermopower in Two-Dimensional Electron Systems

The subject of this thesis is the measurement and interpretation of thermopower in high-mobility two-dimensional electron systems (2DESs). These 2DESs are realized within state-of-the-art GaAs/AlGaAs heterostructures that are cooled to temperatures as low as T = 20 mK. Much of this work takes place within strong magnetic fields where the single-particle density of states quantizes into discrete Landau levels (LLs), a regime best known for the quantum Hall effect (QHE). In addition, we review a novel hot-electron technique for measuring thermopower of 2DESs that dramatically reduces the influence of phonon drag.

Early chapters concentrate on experimental materials and methods. A brief overview of GaAs/AlGaAs heterostructures and device fabrication is followed by details of our cryogenic setup. Next, we provide a primer on thermopower that focuses on 2DESs at low temperatures. We then review our experimental devices, temperature calibration methods, as well as measurement circuits and protocols.

Latter chapters focus on the physics and thermopower results in the QHE regime. After reviewing the basic phenomena associated with the QHE, we discuss thermopower in this regime. Emphasis is given to the relationship between diffusion thermopower and entropy. Experimental results demonstrate this relationship persists well into the fractional quantum Hall (FQH) regime.

Several experimental results are reviewed. Unprecedented observations of the diffusion thermopower of a high-mobility 2DES at temperatures as high as T = 2 K are achieved using our hot-electron technique. The composite fermion (CF) effective mass is extracted from measurements of thermopower at LL filling factor ν = 3/2. The thermopower versus magnetic field in the FQH regime is shown to be qualitatively consistent with a simple entropic model of CFs. The thermopower at ν = 5/2 is shown to be quantitatively consistent with the presence of non-Abelian anyons. An abrupt collapse of thermopower is observed at the onset of the reentrant integer quantum Hall effect (RIQHE). And the thermopower at temperatures just above the RIQHE transition suggests the existence of an unconventional conducting phase.

Density-potential mapping in the standard and quantum electrodynamical time-dependent density functional theory

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Laser-induced damage threshold of ZrO2 thin films prepared at different oxygen partial pressures by electron-beam evaporation

ZrO2, films were deposited by electron-beam evaporation with the oxygen partial pressure varying from 3 X 10(-3) Pa to I I X 10(-3) Pa. The phase structure of the samples was characterized by x-ray diffraction (XRD). The thermal absorption of the films was measured by the surface thermal lensing technique. A spectrophotometer was employed to measure the refractive indices of the samples. The laser-induced damage threshold (LIDT) was assessed using a 1064, nm Nd: yttritium-aluminium-garnet pulsed laser at pulse width of 12 ns. The influence of oxygen partial pressure on the microstructure and LIDT of ZrO2 films was investigated. XRD data revealed that the films changed from polycrystalline to amorphous as the oxygen partial pressure increased. The variation of refractive index at 550 nm wavelength indicated that the packing density of the films decreased gradually with increasing oxygen partial pressure. The absorptance of the samples decreased monotonically from 125.2 to 84.5 ppm with increasing oxygen partial pressure. The damage threshold, values increased from 18.5 to 26.7 J/cm(2) for oxygen partial pressures varying from 3 X 10(-3) Pa to 9 X 10(-3) Pa, but decreased to 17.3 J/cm(2) in the case of I I X 10(-3) Pa. (C) 2005 American Vacuum Society.