Search results for "tetragonal crystal"
showing 10 items of 216 documents
Structural, electronic, and magnetic properties of tetragonalMn3−xGa: Experiments and first-principles calculations
2008
This work reports on the electronic, magnetic, and structural properties of the binary intermetallic compounds ${\mathrm{Mn}}_{3\ensuremath{-}x}\mathrm{Ga}$. The tetragonal ${\mathrm{DO}}_{22}$ phase of the ${\mathrm{Mn}}_{3\ensuremath{-}x}\mathrm{Ga}$ series, with $x$ varying from 0 to 1.0 in steps of $x=0.1$, was successfully synthesized and investigated. It was found that all these materials are hard magnetic, with energy products ranging from $10.1\phantom{\rule{0.3em}{0ex}}\mathrm{kJ}\phantom{\rule{0.2em}{0ex}}{\mathrm{m}}^{\ensuremath{-}3}$ for low Mn content $(x\ensuremath{\rightarrow}1)$ to $61.6\phantom{\rule{0.3em}{0ex}}\mathrm{kJ}\phantom{\rule{0.2em}{0ex}}{\mathrm{m}}^{\ensurema…
Crystal Field Excitations in CeAgl−xInx Compounds
1982
The substitution of the monovalent Ag for the trivalent In in LaAgl−xInx and CeAgl−xInx offers the possibility of influencing the conduction electron system in these compounds. The strong dependence of the spin susceptibility of La-systems on the In-concentration1 was interpreted by band calculations which suggest that the Fermi level is pushed into a region of a high 5d-eg-band density of states2. Furthermore, CeAgl−xInx is one of the rare 4f systems where a structural phase transition (from cubic to tetragonal) occurs prior to magnetic ordering. The ferromagnetic Curie temperature TC is roughly independent of x whereas the structural transition temperature Ts rises from 15 K for CeAg to a…
Effects of CuO doping on structure, microstructure and dielectric properties of BaTiO3–PbTiO3 solid solution
2019
Ba0.7Pb0.3TiO3 and Ba0.7Pb0.3TiO3+yCuO (y = 0.1 wt%, 0.5 wt%, 1 wt% and 3 wt%) samples were prepared by a solid state reaction method. High purity raw materials were used. Structural properties of the sintered pellets were studied by X-ray diffractometer X’Pert PRO (PANalytical). A single phase of perovskite structure with tetragonal phase was identified at room temperature. The surface morphology of the obtained specimens was characterized by the scanning electron microscopy (Hitachi S4700). The investigations has shown that the synthesized ceramic materials are characterized by the high density, homogeneity of microstructure and low porosity. Dielectric spectroscopy was used to study the …
Experimental and Theoretical Study of Bi2O2Se Under Compression
2018
[EN] We report a joint experimental and theoretical study of the structural, vibrational, elastic, optical, and electronic properties of the layered high-mobility semiconductor Bi2O2Se at high pressure. A good agreement between experiments and ab initio calculations is observed for the equation of state, the pressure coefficients of the Raman-active modes and the bandgap of the material. In particular, a detailed description of the vibrational properties is provided. Unlike other Sillen-type compounds which undergo a tetragonal to collapsed tetragonal pressure-induced phase transition at relatively low pressures, Bi2O2Se shows a remarkable structural stability up to 30 GPa; however, our res…
Toward tailorable surfaces: a combined theoretical and experimental study of lanthanum niobate layered perovskites.
2014
A comprehensive theoretical investigation of the MLaNb2O7 (M = H, Li, Na, K, Rb, and Cs) series of ion-exchangeable layered perovskite is presented. These perovskites are in particular interesting in view of their potential applications as inorganic supports for the design of new hybrid inorganic-organic proton conductors. In particular, their structural and electronic properties have been investigated by periodic calculations in the framework of Density Functional Theory, using different exchange-correlation functionals. A general very good agreement with the available experimental (XRD, NPD, and EXAFS) data has been found. The structure of the protonated HLaNb2O7 form has also been furthe…
LaAg x In1?x
1980
The phonon dispersion of LaAg x In1−x (x=1, 0.89, 0.8) has been studied by inelastic neutron scattering in the cubic high temperature phase. A soft mode behaviour was observed at theM-point. The doubling and the cubic to tetragonal deformation of the elementary cell was observed through the phase transition. The measurements of the elastic constants were extended to 450 K and their magnetic field dependence was investigated.
Thermo-Optical Investigation of Sodium-Bismuth Titanate Single Crystal and PLZT Ceramics
2005
Thermal lensing in relaxor type ferroelectrics as a function of temperature has been investigated by using pulse/probe method. Enhanced thermo-optical (TO) properties had been observed in 3d elements (Cu, Co) doped PLZT ceramics and in sodium-bismuth titanate single crystals near phase transitions (PT). Comparison of TO signals for several doped PLZT materials reveals that 0.5 wt.% Cu doping is responsible for improved thermal lensing parameters interpreted by optimal light absorption, heat transfer and possible PT adjustment. TO experiments in sodium-bismuth titanate single crystals ([001] cut) show enhancement of TO properties in the region of PT and coexisting phases (rhombohedral and te…
Synthesis and host properties of tetragonal Li2Mn2O4 and Li2Co0.4Mn1.6O4
2000
Abstract This paper presents synthesis and electrochemical properties of tetragonal lithium manganese dioxide, Li2Mn2O4 and its cobalt doped analogue Li2Co0.4Mn1.6O4. The materials are compared as host materials for lithium insertion and the behavior during the initial lithium extraction as well as on repeated cycling is presented. These materials show an initial lithium extraction capacity between 200 and 270 mAh/g. On repeated cycling, they are converted into spinel-like lattices with reversible capacities in the range 82–90 mAh/g. As they are chemically compatible with the manganese spinel, they will be well suited as additives compensating for the capacity loss during the initial formin…
A comparative study of photocatalytically active nanocrystalline tetragonal T zyrcon- type and monoclinic scheelite-type bismuth vanadate
2018
The authors from Vinča Institute of Nuclear Sciences acknowledge the financial support of the Ministry of Education, Science and Technological Development of the Republic of Serbia (Project no: 172056 ). The work of K. Smits was supported by Latvian National Research Program IMIS2 (Grant no. 302/2012 ).
Theoretical study of the stabilization of cubic-phaseZrO2by impurities
1994
We have performed a thermodynamical analysis of the phase diagrams for ${\mathrm{ZrO}}_{2}$-CaO and ${\mathrm{ZrO}}_{2}$-MgO solid solutions which has demonstrated that differential heats of mixing are important parameters determining the stabilization of the cubic phase of ${\mathrm{ZrO}}_{2}$ by impurities. It is shown that the differential heats of mixing in the cubic phase of these systems should be lower than in the tetragonal phase. To understand this effect we have studied the electronic and geometrical structures of the pure and doped ${\mathrm{ZrO}}_{2}$ crystals. Three computational techniques were employed: the ab initio Hartree-Fock pseudopotential method is used to study the at…