Investigation of precision grinding process for production of silicon diaphragms

The application of precision grinding for the formation of a silicon diaphragm is investigated. The test structures involved 2-6 mm diam diaphragms with thicknesses in the range of 25-150 //m. When grinding is performed without supporting the diaphragm, bending occurs due to nonuniform removal of the silicon material over the diaphragm region. The magnitude of bending depends on the µNal thickness of the diaphragm. The results demonstrate that the use of a porous silicon support can significantly reduce the amount of bending, by a factor of up to 300 in the case of 50 m thick diaphragms. The use of silicon on insulator (SOI) technology can also suppress or eliminate bending although this may be a less economical process. Stress measurements in the diaphragms were performed using x-ray and Raman spectroscopies. The results show stress of the order of 1 X107-! X108 Pa in unsupported and supported by porous silicon diaphragms while SOI technology provides stress-free diaphragms. Results obtained from finite element method analysis to determine deterioration in the performance of a 6 mm diaphragm due to bending are presented. These results show a 10% reduction in performance for a 75 µm thick diaphragm with bending amplitude of 30 fim, but negligible reduction if the bending is reduced to

Stability of Sr adatom model structures for SrTiO3(001) surface reconstructions

We report results of first-principles calculations on the thermodynamic stability of different Sr adatom structures that have been proposed to explain some of the observed reconstructions of the (001) surface of strontium titanate (Kubo and Nozoye 2003 Surf Sci. 542 177). From surface free energy calculations, a phase diagram is constructed indicating the range of conditions over which each structure is most stable. These results are compared with Kubo and Nozoye's experimental observations. It is concluded that low Sr adatom coverage structures can only be explained if the surface is far from equilibrium. Intermediate coverage structures are stable only if the surface is in or very nearly in equilibrium with the strontium oxide.

SrTiO3(001)(2x1) reconstructions: First-principles calculations of surface energy and atomic structure compared with scanning tunneling microscopy images

(1x1) and (2x1) reconstructions of the (001) SrTiO3 surface were studied using the first-principles full-potential linear muffin-tin orbital method. Surface energies were calculated as a function of TiO2 chemical potential, oxygen partial pressure and temperature. The (1x1) unreconstructed surfaces were found to be energetically stable for many of the conditions considered. Under conditions of very low oxygen partial pressure the (2x1) Ti2O3 reconstruction [Martin R. Castell, Surf. Sci. 505, 1 (2002)] is stable. The question as to why STM images of the (1x1) surfaces have not been obtained was addressed by calculating charge densities for each surface. These suggest that the (2x1) reconstructions would be easier to image than the (1x1) surfaces. The possibility that the presence of oxygen vacancies would destabilise the (1x1) surfaces was also investigated. If the (1x1) surfaces are unstable then there exists the further possibility that the (2x1) DL-TiO2 reconstruction [Natasha Erdman Nature (London) 419, 55 (2002)] is stable in a TiO2-rich environment and for p(O2)>10(-18) atm.

Electron energy-loss near-edge shape as a probe to investigate the stabilization of yttria-stabilized zirconia

The electron energy-loss near-edge structure (ELNES) at the O K edge has been studied in yttria-stabilized zirconia (YSZ). The electronic structure of YSZ for compositions between 3 and 15 mol % Y2O3 has been computed using a pseudopotential-based technique to calculate the local relaxations near the O vacancies. The results showed phase transition from the tetragonal to cubic YSZ at 10 mol % of Y2O3, reproducing experimental observations. Using the relaxed defect geometry, calculation of the ELNES was carried out using the full-potential linear muffin-tin orbital method. The results show very good agreement with the experimental O K-edge signal, demonstrating the power of using ELNES to probe the stabilization mechanism in doped metal oxides.

Free energy and molecular dynamics calculations for the cubic-tetragonal phase transition in zirconia

The high-temperature cubic-tetragonal phase transition of pure stoichiometric zirconia is studied by molecular dynamics (MD) simulations and within the framework of the Landau theory of phase transformations. The interatomic forces are calculated using an empirical, self-consistent, orthogonal tight-binding model, which includes atomic polarizabilities up to the quadrupolar level. A first set of standard MD calculations shows that, on increasing temperature, one particular vibrational frequency softens. The temperature evolution of the free-energy surfaces around the phase transition is then studied with a second set of calculations. These combine the thermodynamic integration technique with constrained MD simulations. The results seem to support the thesis of a second-order phase transition but with unusual, very anharmonic behavior above the transition temperature.

Effect of relaxation on the oxygen K-edge electron energy-loss near-edge structure in yttria-stabilized zirconia

The electron energy-loss near-edge structure (ELNES) at the oxygen K-edge has been investigated in a range of yttria-stabilized zirconia (YSZ) materials. The electronic structure of the three polymorphs of pure ZrO2 and of the doped YSZ structure close to the 33 mol %Y2O3 composition have been calculated using a full-potential linear muffin-tin orbital method (NFP-LMTO) as well as a pseudopotential based technique. Calculations of the ELNES dipole transition matrix elements in the framework of the NFP-LMTO scheme and inclusion of core hole screening within Slater's transition state theory enable the ELNES to be computed. Good agreement between the experimental and calculated ELNES is obtained for pure monoclinic ZrO2. The agreement is less good with the ideal tetragonal and cubic structures. This is because the inclusion of defects is essential in the calculation of the YSZ ELNES. If the model used contains ordered defects such as vacancies and metal Y planes, agreement between the calculated and experimental O K-edges is significantly improved. The calculations show how the five different O environments of Zr,Y,O, are connected with the features observed in the experimental spectra and demonstrate clearly the power of using ELNES to probe the stabilization mechanism in doped metal oxides.

The near-edge structure in energy-loss spectroscopy: many-electron and magnetic effects in transition metal nitrides and carbides

We investigate the ability of the local density approximation (LDA) in density functional theory to predict the near-edge structure in electron energy-loss spectroscopy in the dipole approximation. We include screening of the core hole within the LDA using Slater's transition state theory. We find that anion K-edge threshold energies are systematically overestimated by 4.22 +/- 0.44 eV in twelve transition metal carbides and nitrides in the rock-salt (B1) structure. When we apply this 'universal' many-electron correction to energy-loss spectra calculated within the transition state approximation to LDA, we find quantitative agreement with experiment to within one or two eV for TiC, TiN and VN. We compare our calculations to a simpler approach using a projected Mulliken density which honours the dipole selection rule, in place of the dipole matrix element itself. We find remarkably close agreement between these two approaches. Finally, we show an anomaly in the near-edge structure in CrN to be due to magnetic structure. In particular, we find that the N K edge in fact probes the magnetic moments and alignments of ther sublattice.

Entanglement between two superconducting qubits via interaction with nonclassical radiation

We propose a scheme to physically interface superconducting nanocircuits and quantum optics. We address the transfer of quantum information between systems having different physical natures and defined in Hilbert spaces of different dimensions. In particular, we investigate the transfer of the entanglement initially in a nonclassical state of an infinite dimensional system to a pair of superconducting charge qubits. This setup is able to drive an initially separable state of the qubits into an almost pure, highly entangled state suitable for quantum information processing.

Quantum-information processing with noisy cluster states

We provide an analysis of basic quantum-information processing protocols under the effect of intrinsic nonidealities in cluster states. These nonidealities are based on the introduction of randomness in the entangling steps that create the cluster state and are motivated by the unavoidable imperfections faced in creating entanglement using condensed-matter systems. Aided by the use of an alternative and very efficient method to construct cluster-state configurations, which relies on the concatenation of fundamental cluster structures, we address quantum-state transfer and various fundamental gate simulations through noisy cluster states. We find that a winning strategy to limit the effects of noise is the management of small clusters processed via just a few measurements. Our study also reinforces recent ideas related to the optical implementation of a one-way quantum computer.

Nonlinear response of permanent dipoles in a uniaxial potential to alternating fields

It is shown how the existing theory of the dynamic Kerr effect and nonlinear dielectric relaxation based on the noninertial Brownian rotation of noninteracting rigid dipolar particles may be generalized to take into account interparticle interactions using the Maier-Saupe mean field potential. The results (available in simple closed form) suggest that the frequency dependent nonlinear response provides a method of measuring the Kramers escape rate (or in the analogous problem of magnetic relaxation of fine single domain ferromagnetic particles, the superparamagnetic relaxation time).