Transient Deformation Regime in Bending of Single-Walled Carbon Nanotubes

Pure bending of single-walled carbon nanotubes between (5,5) and (50,50) is studied using molecular dynamics based on the reactive bond order potential. Unlike smaller nanotubes, bending of (15,15) and larger ones exhibits an intermediate deformation in the transition between the buckled and fully kinked configurations. This transient bending regime is characterized by a gradual and controllable flattening of the nanotube cross section at the buckling site. Unbending of a kinked nanotube bypasses the transient bending regime, exhibiting a hysteresis due to van der Waals attraction between the tube walls at the kinked site

Maskless etching of silicon using patterned microdischarges

Microdischarges in flexible copper-polyimide structures with hole diameters of 200 µm have been used as stencil masks to pattern bare silicon in CF4/Ar chemistry. The discharges were operated at 20 Torr using the substrate as the cathode, achieving etch rates greater than 7 µm/min. Optical emission spectroscopy provides evidence of excited fluorine atoms. The etch profiles show a peculiar shape attributed to plasma expansion into the etched void. Forming discharges in multiple hole and line shapes permits direct pattern transfer in silicon and could be an alternative to ultrasonic milling and laser drilling

Analytical carbon-oxygen reactive potential

We present a reactive empirical potential with environment-dependent bond strengths for the carbon-oxygen (CO) system. The distinct feature of the potential is the use of three adjustable parameters characterizing the bond: the strength, length, and force constant, rather than a single bond order parameter, as often employed in these types of potentials. The values of the parameters are calculated by fitting results obtained from density functional theory. The potential is tested in a simulation of oxidative unzipping of graphene sheets and carbon nanotubes. Previous higher-level theoretical predictions of graphene unzipping by adsorbed oxygen atoms are confirmed. Moreover, nanotubes with externally placed oxygen atoms are found to unzip much faster than flat graphene sheets

High-pressure micro-discharges in etching and deposition applications

High-pressure micro-discharges are promising sources of light, ions, and radicals and offer some advantages in materials processing applications as compared to other more conventional discharges. We review here results from etching experiments using stencil masks where the discharge is formed only in the pattern cutout. The mask consists of a thin metal-dielectric structure and is pressed against a Si wafer, which becomes part of the electric circuit. Pattern transfer takes place, albeit the profile shape appears to be limited by the expansion of the plasma into the etched hole at long etch times. We also review experiments on using micro-discharges as sources of radicals for materials deposition applications. In the latter case, the micro-discharges form in metal capillary tubes permitting incorporation of gas flow and a short reaction zone that can be controlled to favour production of specific radicals. We demonstrate these concepts by using CH4/H2 chemistry for diamond deposition on a heated Mo substrate. Good quality micro- and nano-diamond crystals could be produced

Low-energy ion beamline scattering apparatus for surface science investigations

We report on the design, construction, and performance of a high current (monolayers/s), mass-filtered ion beamline system for surface scattering studies using inert and reactive species at collision energies below 1500 eV. The system combines a high-density inductively coupled plasma ion source, high-voltage floating beam transport line with magnet mass-filter and neutral stripping, decelerator, and broad based detection capabilities (ions and neutrals in both mass and energy) for products leaving the target surface. The entire system was designed from the ground up to be a robust platform to study ion-surface interactions from a more global perspective, i.e., high fluxes (>100 µA/cm2) of a single ion species at low, tunable energy (50–1400±5 eV full width half maximum) can be delivered to a grounded target under ultrahigh vacuum conditions. The high current at low energy problem is solved using an accel-decel transport scheme where ions are created at the desired collision energy in the plasma source, extracted and accelerated to high transport energy (20 keV to fight space charge repulsion), and then decelerated back down to their original creation potential right before impacting the grounded target. Scattered species and those originating from the surface are directly analyzed in energy and mass using a triply pumped, hybrid detector composed of an electron impact ionizer, hemispherical electrostatic sector, and rf/dc quadrupole in series. With such a system, the collision kinematics, charge exchange, and chemistry occurring on the target surface can be separated by fully analyzing the scattered product flux. Key design aspects of the plasma source, beamline, and detection system are emphasized here to highlight how to work around physical limitations associated with high beam flux at low energy, pumping requirements, beam focusing, and scattered product analysis. Operational details of the beamline are discussed from the perspective of available beam current, mass resolution, projectile energy spread, and energy tunability. As well, performance of the overall system is demonstrated through three proof-of-concept examples: (1) elastic binary collisions at low energy, (2) core-level charge exchange reactions involving 20Ne+ with Mg/Al/Si/P targets, and (3) reactive scattering of CF2+/CF3+ off Si. These studies clearly demonstrate why low, tunable incident energy, as well as mass and energy filtering of products leaving the target surface is advantageous and often essential for studies of inelastic energy losses, hard-collision charge exchange, and chemical reactions that occur during ion-surface scattering

Charge-exchange mechanisms at the threshold for inelasticity in Ne+ collisions with surfaces

We present a study on scattering of 100–1400 eV Ne+ ions off Mg, Al, Si, and P surfaces. Exit energy distributions and yields of single-scattered Ne+ and Ne2+ were separately measured to investigate charge exchange mechanisms occurring at the onset of inelastic losses in binary hard collision events. At low incident energies, collisions appear elastic and projectile ion survival is dominated by nonlocal Auger-type neutralization involving the target valence band. However, once a critical Rmin (distance of closest approach) is reached, three phenomena occur simultaneously: Ne2+ generation, reversal of the Ne+ yield trend, and inelastic losses in Ne+ and Ne2+. Rmin values for the Ne2+ turn-on agree very well with the L-shell overlap distances of the colliding partners, suggesting that electron transfer involving the highly promoted 4fsigma molecular orbital (correlated to the Ne 2p) at close internuclear distance (~0.5 Å) is responsible. For the Ne+ yield, a clear transition from nonlocal neutralization to Rmin-dependent collision induced neutralization was observed. Binary collision inelasticities (Qbin) were evaluated for Ne+ and Ne2+ off Al and Si by taking into account electron straggling. Saturation-like behavior at RminNe** (2p43s2, 41–45 eV) and Ne+-->Ne+** (2p33s2/3s3p, 69–72 eV), followed by autoionization as the projectile leaves the surface region to give Ne+ and Ne2+. In contrast, Qbin values for Ne2+ at the +2 turn-on were seen much lower (35–40 eV off Al, 55–60 eV off Si) than that required for double promotion—eliminating the possibility that Ne2+ is only generated in double excitation of surviving Ne+. Thus single-electron excitation appears to be more important in the threshold region compared to the two-electron events seen at higher collision energies. In addition, the Ne+[Single Bond]P system shows striking similarities with the other target cases from the perspective of a well-defined Ne2+ turn-on, continually increasing Ne2+ yield with impact energy, and inelasticity values which point to the same 4fsigma excitation pathway. The decreasing Rmin requirement for higher target Z in terms of Ne2+ production has been confirmed for the Mg through P series, where hard collision excitation is governed by L-shell orbital overlaps

Evidence of Simultaneous Double-Electron Promotion in F+ Collisions with Surfaces

A high-flux beam of mass-filtered F+ at low energy (100–1300 eV) was scattered off Al and Si surfaces to study core-level excitations of F0 and F+. Elastic scattering behavior for F+ was observed at energies 450 (700) eV off Al (Si) produces F2+—behavior which is remarkably similar to Ne+ off the same surfaces. Inelasticities measured for single collision events agree well with the energy deficits required to form (doubly excited) F** and F+** states from F0 and F+, respectively; these excited species most likely decay to inelastic F+ and F2+ via autoionization

Hyperthermal neutral beam etching

A pulsed beam of hyperthermal fluorine atoms with an average translational energy of 4.8 eV has been used to demonstrate anisotropic etching of Si. For 1.4 Hz operation, a room-temperature etch rate of 300 Å/min for Si(100) has been measured at a distance of 30 cm from the source. A 14% undercutting for room-temperature etching of Novolac-masked Si features was achieved under single-collision conditions, with no detectable mask erosion. Translational energy and angular distributions of scattered fluorine atoms during steady-state etching of Si by a normal-incidence, collimated beam demonstrate that unreacted F atoms can scatter inelastically, retaining a significant fraction of their initial kinetic energies. The observed undercutting can be explained by secondary impingement of these high-energy F atoms, which are more reactive upon interaction with the sidewalls than would be expected if they desorbed from the surface at thermal energies after full accommodation. Time-of-flight distributions of volatile reaction products were also collected, and they show evidence for a dominant nonthermal reaction mechanism of the incident atoms with the surface in addition to a thermal reaction channel

Electric‐field dependence of interband transitions in In_(0.53)Ga_(0.47)As/In_(0.52)Al_(0.48)As single quantum wells by room‐temperature electrotransmittance

Room‐temperature electrotransmittance has been used in order to investigate the interband excitonic transitions in a 250‐Å‐thick In_(0.53)Ga_(0.47)As/In_(0.52)Al_(0.48)As single‐quantum‐well system as a function of an externally applied electric field. Parity forbidden transitions, involving conduction‐band states with quantum numbers up to n=5, which become more pronounced at high electric fields were observed. The ground‐state and the forbidden transitions showed a significant red shift due to the quantum confined Stark effect. A comparison with previously reported results on thinner InGaAs/InAlAs quantum wells indicated that the wide‐well sample exhibits the largest shift, as expected from theory. Despite the appreciable Stark shift, the rather large, field‐induced linewidth broadening and the relatively low electric field at which the ground‐state exciton is ionized poses limitations on using this wide‐quantum‐well system for electro‐optic applications

Semiconductor etching by hyperthermal neutral beams

An at-least dual chamber apparatus and method in which high flux beams of fast moving neutral reactive species are created, collimated and used to etch semiconductor or metal materials from the surface of a workpiece. Beams including halogen atoms are preferably used to achieve anisotropic etching with good selectivity at satisfactory etch rates. Surface damage and undercutting are minimized