Investigation into the effect of Y, Yb doping in Ba2In2O5: determination of the solid solution range and co-doping with phosphate

In this paper we examine the effect of Y, Yb doping in Ba2In2O5, examining the solid solution range and effect on the conductivity and CO2 stability. The results showed that up to 35% Y, Yb can be introduced, and this doping leads to an introduction of disorder on the oxygen sublattice, and a corresponding increase in conductivity. Further increases in Y, Yb content could be achieved through co-doping with phosphate. While this co-doping strategy led to a reduction in the conductivity, it did have a beneficial effect on the CO2 stability, and further improvements in the CO2 stability could be achieved through La and P co-doping

Treatments of the exchange energy in density-functional theory

Following a recent work [Gal, Phys. Rev. A 64, 062503 (2001)], a simple derivation of the density-functional correction of the Hartree-Fock equations, the Hartree-Fock-Kohn-Sham equations, is presented, completing an integrated view of quantum mechanical theories, in which the Kohn-Sham equations, the Hartree-Fock-Kohn-Sham equations and the ground-state Schrodinger equation formally stem from a common ground: density-functional theory, through its Euler equation for the ground-state density. Along similar lines, the Kohn-Sham formulation of the Hartree-Fock approach is also considered. Further, it is pointed out that the exchange energy of density-functional theory built from the Kohn-Sham orbitals can be given by degree-two homogeneous N-particle density functionals (N=1,2,...), forming a sequence of degree-two homogeneous exchange-energy density functionals, the first element of which is minus the classical Coulomb-repulsion energy functional.Comment: 19 pages; original manuscript from 2001 (v1) revised for publication, with presentation substantially improved, some errors corrected, plus an additional summarizing figure (Appendix B) include

Spin state transition in LaCoO3 by variational cluster approximation

The variational cluster approximation is applied to the calculation of thermodynamical quantities and single-particle spectra of LaCoO3. Trial self-energies and the numerical value of the Luttinger-Ward functional are obtained by exact diagonalization of a CoO6 cluster. The VCA correctly predicts LaCoO3 as a paramagnetic insulator and a gradual and relatively smooth increase of the occupation of high-spin Co3+ ions causes the temperature dependence of entropy and magnetic susceptibility. The single particle spectral function agrees well with experiment, the experimentally observed temperature dependence of photoelectron spectra is reproduced satisfactorily. Remaining discrepancies with experiment highlight the importance of spin orbit coupling and local lattice relaxation.Comment: Revtex file with 10 eps figure

Correlated band structure of NiO, CoO and MnO by variational cluster approximation

The variational cluster approximation proposed by Potthoff is applied to the calculation of the single-particle spectral function of the transition metal oxides MnO, CoO and NiO. Trial self-energies and the numerical value of the Luttinger-Ward functional are obtained by exact diagonalization of a TMO6-cluster. The single-particle parameters of this cluster serve as variational parameters to construct a stationary point of the grand potential of the lattice system. The stationary point is found by a crossover procedure which allows to go continuously from an array of disconnected clusters to the lattice system. The self-energy is found to contain irrelevant degrees of freedom which have marginal impact on the grand potential and which need to be excluded to obtain meaningful results. The obtained spectral functions are in good agreement with experimental data.Comment: 14 pages, 17 figure

Joint effect of lattice interaction and potential fluctuation in colossal magnetoresistive manganites

Taking into account both the Jahn-Teller lattice distortion and the on-site electronic potential fluctuations in the orbital-degenerated double-exchange model, in which both the core-spin and the lattice distortion are treated classically, we investigate theoretically the metal-insulator transition (MIT) in manganites by considering the electronic localization effect. An inverse matrix method is developed for calculation in which we use the inverse of the transfer matrix to obtain the localization length. We find that within reasonable range of parameters, both the lattice effect and the potential fluctuation are responsible to the occurrence of the MIT. The role of the orbital configuration is also discussed.Comment: 4 figure

Traveling sealer for contoured table Patent

Sealing apparatus for joining two pieces of frangible material

Discrimination of growth and water stress in wheat by various vegetation indices through a clear a turbid atmosphere

Reflectance data were obtained over a drought-stressed and a well-watered wheat plot with a hand-held radiometer having bands similar to the MSS bands of the LANDSAT satellites. Data for 48 clear days were interpolated to yield reflectance values for each day of the growing season, from planting until harvest. With an atmospheric path radiance model and LANDSAT-2 calibration data, the reflectance were used to simulate LANDSAT digital counts (not quantized) for the four LANDSAT bands for each day of the growing season, through a clear (approximately 100 km meteorological range) and a turbid (approximately 10 km meteorological range) atmosphere. Several ratios and linear combinations of bands were calculated using the simulated data, then assessed for their relative ability to discriminate vegetative growth and plant stress through the two atmospheres. The results show that water stress was not detected by any of the indices until after growth was retarded, and the sensitivity of the various indices to vegetation depended on plant growth stage and atmospheric path radiance

Adjusting the tasseled cap brightness and greenness factors for atmospheric path radiance and absorption on a pixel by pixel basis

A radiative transfer model was used to convert ground measured reflectances into the radiance at the top of the atmosphere, for several levels of atmospheric path radiance. The radiance in MSS7 (0.8 to 1.1 m) was multiplied by the transmission fraction for atmospheres having different levels of precipitable water. The radiance values were converted to simulated LANDSAT digital counts for four path radiance levels and four levels of precipitable water. These values were used to calculate the Kauth-Thomas brightness, greenness, yellowness, and nonsuch factors. Brightness was affected by surface conditions and path radiance. Greenness was affected by surface conditions, path radiance, and precipitable water. Yellowness was affected by path radiance and nonsuch by precipitable water, and both factors changed only slightly with surface conditions. Yellowness and nonsuch were used to adjust brightness and greenness to produce factors that were affected only by surface conditions such as soils and vegetation, and not by path radiance and precipitable water

Study of an instrument for sensing errors in a telescope wavefront

Focal plane sensors for determining the error in a telescope wavefront were investigated. The construction of three candidate test instruments and their evaluation in terms of small wavefront error aberration measurements are described. A laboratory wavefront simulator was designed and fabricated to evaluate the test instruments. The laboratory wavefront error simulator was used to evaluate three tests; a Hartmann test, a polarization shearing interferometer test, and an interferometric Zernike test

Bures distance between two displaced thermal states

The Bures distance between two displaced thermal states and the corresponding geometric quantities (statistical metric, volume element, scalar curvature) are computed. Under nonunitary (dissipative) dynamics, the statistical distance shows the same general features previously reported in the literature by Braunstein and Milburn for two--state systems. The scalar curvature turns out to have new interesting properties when compared to the curvature associated with squeezed thermal states.Comment: 3 pages, RevTeX, no figure