Search results for "Tetragonal crystal system"
showing 10 items of 215 documents
Normal and relaxor ferroelectric behavior in the Ba1−xPbx(Ti1−yZry)O3 solid solutions
2017
Abstract Polycrystalline samples of Ba 1−x Pb x (Ti 1−y Zr y )O 3 (BPTZ) with x = 0.025 & 0.1 and 0.10 ≤ y ≤ 0.50 have been synthesized by high-temperature solid-state reaction technique. X-ray diffraction reveals the formation of single phase with tetragonal or cubic structure. Dielectric investigations were carried out in the temperature range from 80 to 445 K with frequencies range from 10 2 to 10 6 Hz. A broad dielectric anomaly coupled with the shift of dielectric maxima toward a higher temperature with increasing frequency indicates either a diffuse phase transition or relaxor behavior in some of these ceramics. Whatever lead content, when zirconium is substituted by titanium, T C an…
Syntheses, Properties and Structures of [{(C 5 Me 5 ) 2 Nb} 2 NiTe 4 ] and [( t BuC 5 H 4 Nb) 2 Ni 5 Te 7 (Ph 2 PCH 2 PPh 2 ) 2 ]: The Quest for Tetr…
2007
The reaction of [Ni(COD) 2 ] with [Cp* 2 NbTe 2 H] (1; Cp * = η-C 5 Me 5 ) in the presence of Ph 2 PCH 2 PPh 2 (dppm) in boiling toluene gives black-violet [(Cp * 2 Nb) 2 NiTe 4 ] (3). If [Cp' 2 NbTe 2 H] (2; Cp' = tBuC 5 H 4 ) is used under similar conditions dark-brown [(Cp'Nb)2Ni5Te7(dppm)2] (4) is formed. The structures of 3 and 4 have been determined crystallographically. Complex 3 contains a severely distorted NiTe 4 tetrahedron to which two niobocene groups are coordinated. Density functional analysis of the electronic structure of the NiTe 4 building block shows that it is best described as an [Ni(η 2 -Te 2 ) 2 ] 2- fragment. The structure of 4 reveals the presence of two Ni 5 and T…
Electron Spin Resonance study of charge trapping in α-ZnMoO4 single crystal scintillator
2015
The origin and properties of electron and hole traps simultaneously appearing in a-ZnMoO4 scintillator after X-ray irradiation at low temperatures (T < 35 K) were studied by Electron Spin Resonance (ESR). ESR spectrum of the electron type trap shows pronounced superhyperfine structure due to the interaction of electron spin with nuclear magnetic moments of 95,97Mo and 67Zn lattice nuclei. Considering the nearly tetragonal symmetry of the center this allows us to identify the electron trap as an electron self-trapped at the (Mo(1)O4) 2 complex. Nearly 60% reduction of the spin–orbit coupling at the Mo(1) ion is caused by the overlap of the Mo and ligand oxygen orbitals indicating an essentia…
Self-diffusion of silicon in molybdenum disilicide
2004
The self-diffusion of silicon in single crystal MoSi2 was studied by means of a radiotracer technique using the short-lived radioisotope 31Si (half-life ), which was produced and implanted into the samples at the ion-guide isotope separator on-line device at the University of Jyvaskyla in Finland. Diffusion annealing and subsequent serial sectioning of the specimens were performed immediately after the radiotracer implantation. In the entire temperature region investigated (835–1124 K), the 31Si diffusivities in both principal directions of the tetragonal MoSi2 crystals obey Arrhenius laws, where the diffusion perpendicular to the tetragonal axis is faster than parallel to it. In previous s…
Synthesis, crystal structure and magnetic properties of the complex [ReCl3(tppz)]·MeCN
2015
The reaction of the starting materials [ReIIICl3(MeCN)(PPh3)2] or [ReVOCl3(PPh3)2] with 2,3,5,6-tetrakis(2-pyridyl)pyrazine (tppz) in acetonitrile yielded the Re(III) complex [ReCl3(tppz)]·MeCN (1). This complex crystallizes in the monoclinic space group P21/n and its crystal structure consists of neutral mononuclear entities with meridional geometry of the chloride ligands, and the six-coordination of the Re(III) ion being completed by the tridentate tppz ligand. Each metal centre exhibits a highly distorted octahedral coordination with Re–Cl and Re–Ntppz bond lengths covering the ranges 2.3590(9)–2.3606(8) and 1.971(2)–2.096(2) A, respectively. The magnetic properties of 1 have been inves…
Phonon calculations in cubic and tetragonal phases of SrTiO3: A comparative LCAO and plane-wave study
2011
The atomic, electronic structure and phonon frequencies have been calculated in cubic and low-temperature tetragonal SrTiO${}_{3}$ phases at the ab initio level. We demonstrate that the use of the hybrid exchange-correlation PBE0 functional gives the best agreement with experimental data. The results for the standard generalized gradient approximation (PBE) and hybrid PBE0 functionals are compared for the two types of approaches: a linear combination of atomic orbitals (CRYSTAL09 computer code) and plane waves (VASP5.2 code). The relation between cubic and tetragonal phases and the relevant antiferrodistortive phase transition is discussed in terms of group theory and is illustrated with an…
Pressure-induced phase transitions in AgClO4
2011
11 pags, 9 figs, 4 tabs. -- PACS number(s): 62.50.−p, 64.70.K−, 61 .50.Ks, 64.30.−t
Study of solid state kinetics using voltammetry of immobilized particles. Application to tetragonal to monoclinic transition in nanoparticulate zirco…
2012
Abstract The voltammetry of immobilized particles methodology is applied to study solid state reaction kinetics on the basis of the electrocatalytic ability of solids toward selected electrochemical processes. Measurement of the time variation of catalytic current for oxygen evolution reaction in aqueous alkaline media provides a direct estimate of fractional conversion of the reactant in the course of the reaction for testing different reaction kinetic models. This methodology is applied to analyze the formation of monoclinic zirconia and praseodymia-doped zirconia from tetragonal precursors. Discrimination between competing and successive reactions mechanisms is obtained for reactions inv…
Electrocatalysis of the oxidation of methylenedioxyamphetamines at electrodes modified with cerium-doped zirconias
2004
The catalytic effect of monoclinic and tetragonal cerium-doped zirconias (m-CexZr1−xO2 and t-CexZr1−xO2, 0<x<0.10, respectively), prepared from gel precursors, on the oxidation of methylenedioxyamphetamine (MDA) and methylenedioxymetamphetamine (MDMA) at pH 7.0 has been studied. Upon attachment of synthetic specimens to polymer film electrodes, an oxidation peak near to +1.05 V vs AgCl/Ag appears that is unaffected by chloride ions and common interfering compounds, namely, dopamine, norepinephrine and ascorbic acid. The catalytic effect appears to be strongly influenced by crystallinity of specimens and coordination of cerium, increasing from the amorphous starting material to t-CexZr1−xO2 …
Structural Evolution and Vanadium Distribution in the Preparation of V4+-ZrSiO4 Solid Solutions from Gels
2004
Vanadium-containing ZrSiO4-gel precursors with nominal compositions Vx-ZrSiO4 with x= 0.0, 0.002, 0.004, 0.01, 0.02, 0.03, 0.04, 0.05, 0.06, 0.1, and 0.2 were prepared using a previously reported procedure and thermally treated over a range of temperature up to the formation of the V4+-ZrSiO4 solid solution. The structural evolution and the V4+ location and its homogenous distribution were followed using powder X-ray diffractometry and electron spin resonance spectroscopy (ESR). Our experiments showed that a tetragonal form of V4+-ZrO2 was the first crystalline phase obtained on heating the gels. On further heating, a phase transformation to the monoclinic form of V4+-ZrO2 took place. Final…