Properties of tetrahedral amorphous carbon deposited by a filtered cathodic vacuum arc

The properties of a highly sp3 bonded form of amorphous carbon denoted ta-C deposited from a filtered cathodic vacuum arc (FCVA) are described as a function of ion energy and deposition temperature. The sp3 fraction depends strongly on ion energy and reaches 85% at an ion energy of 100 eV. Other properties such as density and band gap vary in a similar fashion, with the optical gap reaching a maximum of 2.3 eV. These films are very smooth with area roughness of order 1 nm. The sp3 fraction falls suddenly to almost zero for deposition above about 200 °C.

Electronic structure of the layered ferroelectric perovskite SrBi2Ta2O9

The band structure of the Bi layered perovskite SrBi2Ta2O9 (SBT) has been calculated by the tight binding method. We find both the valence and conduction band edges to consist of states primarily derived from the Bi-O layer rather than the perovskite Sr-Ta-O block. The valence band maximum arises from O p and some Bi s states, while the conduction band minimum consists of Bi p states, with a band gap of 5.1 eV. It is argued that the Bi-O layers largely control the electronic response of SBT while the ferroelectric response originates from the perovskite Sr-Ta-O block. Bi and Ta centered traps are calculated to be shallow, which may account in part for the excellent fatigue properties of SBT.

Electronic structure of the ferroelectric layered perovskite SrBi2Ta2O9

The band structure of the layered perovskite SrBi2Ta2O9 (SBT) was calculated by tight binding and the valence band density of states was measured by x-ray photoemission spectroscopy. We find both the valence and conduction band edges to consist of states primarily derived from the Bi-O layer rather than the perovskite Sr-Ta-O blocks. The valence band maximum arises from O p and some Bi s states, while the conduction band minimum consists of Bi p states, with a wide band gap of 5.1 eV. It is argued that the Bi-O layers largely control the electronic response whereas the ferroelectric response originates mainly from the perovskite Sr-Ta-O block. Bi and Ta centered traps are calculated to be shallow, which may account in part for its excellent fatigue properties. © 1996 American Institute of Physics.

Doping mechanism in tetrahedral amorphous carbon

Doping in hydrogenated amorphous silicon occurs by a process of an ionized donor atom partially compensated by a charged dangling bond. The total energies of various dopant and dopant/bonding combinations are calculated for tetrahedral amorphous carbon. It is found that charged dangling bonds are less favored because of the stronger Coulombic repulsion in ta-C. Instead the dopants can be compensated by weak bond states in the lower gap associated with odd-membered π-rings or odd-numbered π-chains. The effect is that the doping efficiency is low but there are not charged midgap recombination centres, to reduce photoconductivity or photoluminescence with doping, as occurs in a-Si:H.

Growth rate of YBCO single grains containing Y-2411(M)

Y-Ba-Cu-O (YBCO) single grains have the potential to generate large trapped magnetic fields for a variety of engineering applications, and research on the processing and properties of this material has attracted world-wide interest. In particular, the introduction of flux pinning centres to the large grain microstructure to improve its current density, Jc, and hence trapped field, has been investigated extensively over the past decade. Y 2Ba4CuMOx [Y-2411(M)], where M = Nb, Ta, Mo, W, Ru, Zr, Bi and Ag, has been reported to form particularly effective flux pinning centres in YBCO due primarily to its ability to exist as nano-size inclusions in the superconducting phase matrix. However, the addition of the Y-2411(M) phase to the precursor composition complicates the melt-processing of single grains. We report an investigation of the growth rate of single YBCO grains containing Y-2411(Bi) phase inclusions and Y2O3. The superconducting properties of these large single grains have been measured specifically to investigate the effect of Y2O3 on broadening the growth window of these materials. © 2010 IOP Publishing Ltd.

Cross-sectional structure of tetrahedral amorphous carbon thin films

A cross-sectional transmission electron microscope study of the low density layers at the surface and at the substrate-film interface of tetrahedral amorphous carbon (ta-C) films grown on (001) silicon substrates is presented. Spatially resolved electron energy loss spectroscopy is used to determine the bonding and composition of a tetrahedral amorphous carbon film with nanometre spatial resolution. For a ta-C film grown with a substrate bias of -300 V, an interfacial region approximately 5 nm wide is present in which the carbon is sp2 bonded and is mixed with silicon and oxygen from the substrate. An sp2 bonded layer observed at the surface of the film is 1.3 ± 0.3 nm thick and contains no detectable impurities. It is argued that the sp2 bonded surface layer is intrinsic to the growth process, but that the sp2 bonding in the interfacial layer at the substrate may be related to the presence of oxygen from the substrate.

Stress reduction and bond stability during thermal annealing of tetrahedral amorphous carbon

A comprehensive study of the stress release and structural changes caused by postdeposition thermal annealing of tetrahedral amorphous carbon (ta-C) on Si has been carried out. Complete stress relief occurs at 600-700°C and is accompanied by minimal structural modifications, as indicated by electron energy loss spectroscopy, Raman spectroscopy, and optical gap measurements. Further annealing in vacuum converts sp3 sites to sp2 with a drastic change occurring after 1100°C. The field emitting behavior is substantially retained up to the complete stress relief, confirming that ta-C is a robust emitting material. © 1999 American Institute of Physics.

Deposition of carbon nitride films using an electron cyclotron wave resonance plasma source

Hydrogenated amorphous carbon nitride (a-C:N:H) has been synthesized using a high plasma density electron cyclotron wave resonance (ECWR) technique using N2 and C2H2 as source gases, at different ratios and a fixed ion energy (80 eV). The composition, structure and bonding state of the films were investigated and related to their optical and electrical properties. The nitrogen content in the film rises rapidly until the N2/C2H2 gas ratio reaches 2 and then increases more gradually, while the deposition rate decreases steeply, placing an upper limit for the nitrogen incorporation at 30 at%. For nitrogen contents above 20 at%, the band gap and sp3-bonded carbon fraction decrease from 1.7 to 1.1 eV and approximately 65 to 40%, respectively. Films with higher nitrogen content are less dense than the original hydrogenated tetrahedral amorphous carbon (ta-C:H) film but, because they have a relatively high band gap (1.1 eV), high resistivity (109 Ω cm) and moderate sp3-bonded carbon fraction (40%), they should be classed as polymeric in nature.

Properties of amorphous carbon-silicon alloys deposited by a high plasma density source

The addition of silicon to hydrogenated amorphous carbon can have the advantageous effect of lowering the compressive stress, improving the thermal stability of its hydrogen, and maintaining a low friction coefficient up to high humidity. Most experiments to date have been on hydrogenated amorphous carbon-silicon alloys (a-C1-xSix:H) deposited by rf plasma enhanced chemical vapor deposition. This method gives alloys with sizeable hydrogen content and only moderate hardness. Here we use a high plasma density source known as the electron cyclotron wave resonance source to prepare films with higher sp3 content and lower hydrogen content. The composition and bonding in the alloys is determined by x-ray photoelectron spectroscopy, Rutherford backscattering, elastic recoil detection analysis, visible and ultraviolet (UV) Raman spectroscopy, infrared spectroscopy, and x-ray reflectivity. We find that it is possible to produce relatively hard, low stress, low friction, almost humidity insensitive a-C1-xSix:H alloys with a good optical transparency and a band gap well over 2.5 eV. The friction behavior and friction mechanism of these alloys are studied and compared with that of a-C:H, ta-C:H, and ta-C. We show how UV Raman spectroscopy allows the direct detection of Si-C, Si-Hx, and C-Hx vibrations, not seen in visible Raman spectra. © 2001 American Institute of Physics.

Nitrogen incorporation into tetrahedral hydrogenated amorphous carbon

Structural changes induced by the incorporation of nitrogen into ta-C : H films have been studied by Electron Energy Loss Spectroscopy, X-Ray Photoelectron Spectroscopy, Fourier Transformed Infrared Spectroscopy and Ultraviolet-Visible Spectroscopy. ta-C:H films have been synthesised using a low pressure Electron Cyclotron Wave Resonance (ECWR) source which provides a plasma beam with a high degree of ionisation and dissociation. Nitrogen was incorporated by adding N2 to the C2H2 plasma used for the deposition of ta-C : H films. The N/C atomic ratio in the films rises rapidly until the N2/C2H2 gas ratio reaches three, and then increases more gradually, while the deposition rate decreases steeply. Chemical sputtering of the forming films and the formation of molecular nitrogen within the films limit the maximum nitrogen content to about N/C = 0.6. For low nitrogen content the films retain their diamond-like properties, however as N/C atomic ratio increases, a polymeric-like material is formed, with >C=N- structures and terminating C=N and NH groups that decrease the connectivity of the network.

Fabrication and bio-functionalization of tetrahedral amorphous carbon thin films for bio sensor applications

Tetrahedral amorphous carbon (ta-C) thin films are a promising material for use as biocompatible interfaces in applications such as in-vivo biosensors. However, the functionalization of ta-C film surface, which is a pre-requisite for biosensors, remains a big challenge due to its chemical inertness. We have investigated the bio-functionalization of ta-C films fabricated under specific physical conditions through the covalent attachment of functional biomolecular probes of peptide nucleic acid (PNA) to ta-C films, and the effect of fabrication conditions on the bio-functionalization. The study showed that the functional bimolecular probes such as protected long-chain ω-unsaturated amine (TFAAD) can be covalently attached to the ta-C surface through a well-defined structure. With the given fabrication process, electrochemical methods can be applied to the detection of biomolecular interaction, which establishes the basis for the development of stable, label-free biosensors. © 2011 Elsevier B.V. All rights reserved.

Asymptotic behaviour of approximate Bayesian estimators

Although approximate Bayesian computation (ABC) has become a popular technique for performing parameter estimation when the likelihood functions are analytically intractable there has not as yet been a complete investigation of the theoretical properties of the resulting estimators. In this paper we give a theoretical analysis of the asymptotic properties of ABC based parameter estimators for hidden Markov models and show that ABC based estimators satisfy asymptotically biased versions of the standard results in the statistical literature.

Parameter Estimation for Hidden Markov Models with Intractable Likelihoods

Approximate Bayesian computation (ABC) is a popular technique for analysing data for complex models where the likelihood function is intractable. It involves using simulation from the model to approximate the likelihood, with this approximate likelihood then being used to construct an approximate posterior. In this paper, we consider methods that estimate the parameters by maximizing the approximate likelihood used in ABC. We give a theoretical analysis of the asymptotic properties of the resulting estimator. In particular, we derive results analogous to those of consistency and asymptotic normality for standard maximum likelihood estimation. We also discuss how sequential Monte Carlo methods provide a natural method for implementing our likelihood-based ABC procedures.