نتایج جستجو برای: tetragonal

تعداد نتایج: 4117  

2002
H. KRUIDHOF A. J. BURGGRAAF

The thermochemlcal stablllty of fast oxygen ion conductlng yttria stabillzed blsmuthoxlde (YSB) r solld solutlons containing 22.0 32.5 mol% of yttrla was investigated. It was shown that In the temperature range between 650 740 C the stabilized cublc ~ -phase contalnlng less than 31.8 mol% of yttrla ls not stable durlng long term annealing treatments (>~500 hours). During annealing at 650 C a sl...

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  ing the full potential linearized augmented plan wave in framework density functional theory(DFT) with wien2k code. The band structure and energy gap of the bulk structures are calculated with GGA-PBE, GGA+U and GGA+MBJ approximations, and results obtained from the MBJ function are more consistent with the reported experimental results. The optical properties such as real and imaginary parts...

Journal: :Algebraic Geometry 2014

2012
Hepeng Ding Anil V. Virkar Feng Liu

a r t i c l e i n f o Using first-principles calculations, we have carried out a systematic comparative study of the microscopic atomic defect configurations in cubic and tetragonal yttria-stabilized zirconia (YSZ) and their correlation with the macroscopic lattice parameters and relative phase stability, as a function of Y concentration. We found that Y atoms sit at the second-nearest-neighbor...

  We have used GSAS package for Reitveld analysis of XRD data from H-Tc superconductor powder YBa2-xKxCu3O7-y (0<1) samples. The procedure of Potassium doping, x, results in some residual impurities in the sample and so few extra peaks in the XRD patterns would appeared. On the other hand, substituting K by Ba causes, to some extent, oxygen depletion and also the lowering of the Ba (K) plane po...

Journal: :Dalton transactions 2014
Sergio Obregón Soo W Lee Gerardo Colón

Er-doped BiVO4 are synthesized by means of a surfactant free microwave assisted hydrothermal method having good photoactivities under sun-like excitation for the degradation of methylene blue. From the structural and morphological characterization, it has been stated that the presence of Er(3+) induces a slight stabilization of the tetragonal phase, probably due to its incorporation in the BiVO...

2013
M. V. Eremin

An explanation has been proposed for the unusual behaviour of the asymmetry parameter of NQR spectra of Cu(2) in layered cuprates. When holes are introduced into the plane, Zhang-Rice singlets (ZRS) appear which have a strong vibronic coupling to tetragonal and orthorhombic modes. The equation for the adiabatic potential has been derived. It is shown that its minimum, correspond­ ing to orthorh...

   Physical study of nano ribbon, tetragonal bundled and isolated nano tube SiC (7,0) are part of our project in knowing new nano material such a silicon carbide. These studies have been performed by density function theory. Effect of ribboning, tubulating and tetragonal bundling on the physical properties such as stability, structural constants, optical physics, chemical parameters and mag...

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