• Journal of the Mineralogical Society of Korea
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• v.13 no.3
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• pp.164-170
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• 2000

Neutron single crystal and powder diffraction techniques have been applied to the structure analysis of yttria-stabilized zirconium, Z $r_{0.73}$ $Y_{0.27}$ $O_{1.87}$., prepared by the skull-melting method. The crystal structure has been determined to be cubic symmetry, space group Fm/equation omitted/ with a=5.155(2)$\AA$, V=136.99(5)$\AA$, Z=4, and R(F)=5.65%, $\omega$R(I)=10.57% for 70 integrated intensities of Bragg Peaks observed from single crystal of Z $r_{0.73}$ $Y_{0.27}$ $O_{1.87}$. The stabilizer atoms randomly occupy the zirconium sites and there are displacements of oxygen atoms with amplitudes of $\Delta$/a~0.033 and 0.11 along <110> and <100> directions from the ideal positions of the fluorite structure, respectively. There are no significant differences in crystallographic data between the single crystal and powder studies. Diffraction pattern after Rietveld refinement, using neutron powder data, has shown the evidence of a tetragonal impurity phase, or a slight tetragonal distortion.

• Journal of the Korean Electrochemical Society
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• v.6 no.1
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• pp.1-5
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• 2003

[ $LiNi_{1-x}Co_xO_2\;(x=0.0\~1.0)$ ] powders were synthesized by citrate method, and their crystal structures and electrochemical performance as the cathode material in Li secondary batteries were analyzed. X-ray diffraction analysis revealed that all the samples carry a single phase regardless of the Co substitution. The results of Rietveld refinement suggested that the crystal structure of solid solutions varies according to the Co substitution. When the Co substitution is low $(x=0.3\~0.5)$, the solid solutions carry a cubic-like structure with a relatively small value in the ratio of lattice parameters (c/a). The solid solutions made with a higher Co substitution (x=0.7), however, exhibit a layered structure with a higher c/a ratio. This difference was also observed in the electrochemical voltage spectroscopy (EVS) profiles, whereby the Co component in scarcely substituted materials shows a charging reaction at $3.7V\;(vs.\;Li/Li^+)$, but in the heavily substituted ones at 3.92V.

• Journal of the Mineralogical Society of Korea
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• v.12 no.2
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• pp.55-65
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• 1999

Spotted cordierite occurs as the result of intrusion of Wolaksan Granite of Cretaceous age in the northern part of the Ogcheon Metamorphic Belt, forming a contact metamorphic zoning in accordance with the distance from the granite body: a cordierite-muscovite-biotite-quartz assemblage and the higher-temperature cordierite-biotite-quartz-(cummingtonite). These quartz-ubiquitous mineral assemblages identified in the cordierite spot seem to reflect Al-deficient condition of the protolith. TEM observations of textural relations between the cordierite and mica within the cordierite spot clearly reflect that cordierite was formed at the expense of micaceous matrix. A structure refinement of the poikiloblastic cordierite was performed by the Rietveld refinement method. Unit cell of the cordierite was determined to be as follows : lower-temperature type: a=17.1480(9)${\AA}$, b=9.7743(6)${\AA}$, c=9.3184(5)${\AA}$, V=1561.9(4)${\AA}$3, higher-temperature type: a=17.136(2)${\AA}$, b=9.751(1)${\AA}$, c=9.322(1)${\AA}$, V=1557.7(4)${\AA}$3. They show a remarkable difference in the unit cell dimension. The refinement results indicate that structural sites of lower-temperature cordierite are wholly occupied by appropriating ions. Compared to this, tetrahedral sites of the higher-temperature type exhibit an order/disorder ranging about 5-8% as the result of substitution between Si4+ and Al3+, except for T26 site occupied wholly by Al3+. These structural differences seem to be related to the formation temperatures of both cordierite types.

• Bulletin of the Korean Chemical Society
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• v.21 no.7
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• pp.679-684
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• 2000

The Sr2Co0.5Nb(Ta)0.5O4 and Sr3CoNb(Ta)O7 compounds, both with Ruddlesden-Popper structures, have been synthesized by the ceramic method at $1150^{\circ}C$ under atmospheric pressure. The crystallographic structure of the compounds was assigned to the tetr agonal system with space group 14/mmm by X-ray diffraction(XRD) Rietveld refinement. The reduced lattice volume and lattice parameters increased as the Ta with 5d substitutes for the Nb with 4d in the compounds. The Co/Nb(Ta)O bond length has been determined by X-ray absorption spectroscopic(EXAFS/XANES) analysis and the XRD refinement. The CoO6,octahedra were tetragonally distorted by elongation of Co-O bond along the c-axis. The magnetic measurement shows the compounds Sr2Co0.5Nb(Ta)0.5O4 and Sr3CoNb(Ta)O7 have paramagnetic properties and the Co ions with intermediate spin sates between high and low spins in D4h symmetry. All the compounds showed semiconducting behavior whose electrical conductivity increased with temperature up to 1000 K. The electrical conductiviy increased and the activation energy for the conduction decreased as the number of perovskite layers increased in the compounds with chemical formula An+1BnO3n+1.

• Proceedings of the Korean Powder Metallurgy Institute Conference
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• 2000.11a
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• pp.11-12
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• 2000

Non-stoichiometric ceramics of $Ni_{x}ZnO_{1-x}Fe_{2}O_{4}$ were prepared by self-propagating high temperature synthesis reaction with various processing conditions and their stoichometric numbers were determined by neutron diffraction. The neutron diffraction patterns were measured at room temperature using monochromatic neutrons with a wave length of 0.18339 nm from a Ge(331) mocochromator at a 90 degree take off angle. The Rietveld refinement of each pattern converged to good agreement (x2=1.88-2.24). The neutron diffraction analysis revealed the final stoichiometries of the ferrites were $Ni_{0.38}Zn_{0.62}Fe_{2}O_{4}$ and $Ni_{0.33}Zn_{0.67}Fe_{2}O_{4]$, respectively. This supports that final stoichiometric number of the self-propagating high temperature synthesis product can be controlled by the processing parameters during the combustion reaction.

• Journal of Electrochemical Science and Technology
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• v.3 no.4
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• pp.172-177
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• 2012

Mo-doped $LiFePO_4$ was synthesized via co-precipitation method using sucrose as the carbon source. Structure, surface morphology, and the electrochemical properties of the synthesized olivine compounds were investigated using Rietveld refinement of X-ray diffraction data (XRD), scanning electron microscopy (SEM), and electrochemical charge-ischarge tests. Spherical morphology with the particle size of ${\sim}8{\mu}m$ authenticated the enhanced tap density and volumetric energy density of the synthesized materials. Charge-discharge behavior of $LiFePO_4$ and Mo-doped $LiFePO_4$ cells demonstrated a specific capacity of 130 and 145 mAh $g^{-1}$, respectively. Mo-doped $LiFePO_4$ cells exhibited an excellent discharge capacity at 96 mAh $g^{-1}$ at 7 C-rate.

• 한국정보디스플레이학회:학술대회논문집
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• 2005.07b
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• pp.1568-1571
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• 2005

We have evaluated thermal stability of a $BaAl_2Si_2O_8:Eu^{2+}$ $(BAS:Eu^{2+})$, which have polymorph property such as hexagonal, monoclinic structure depending upon firing temperature. When both polymorph $BAS:Eu^{2+}$ were baked in air at 500 $^{\circ}C$ for 30 min, the photoluminescence (PL) intensity of $monoclinic-BAS:Eu^{2+}$ was maintained of the initial intensity. However, the PL intensity of $hexagonal-BAS:Eu^{2+}$ decreased significantly, corresponding to about 34 %. From analyses of Rietveld refinement, the difference of thermal stability of both $BAS:Eu^{2+}$ can be ascribed to both crystal structure of host materials and the average interatomic distances between $Eu^{2+}$ ion and oxygen their crystal structure which plays a key role of shield for Eu2+ ions against oxidation atmosphere.

• Proceedings of the Korean Vacuum Society Conference
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• 2014.02a
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• pp.451-451
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• 2014

중고온 열전재료로서의 응용 가능성이 높은 HMS (higher manganese silicide)는 높은 제백계수, 낮은 전기저항, 높은 산화 저항성뿐만 아니라 구성 원소가 풍부하며 친환경적인 열전재료이다. HMS는 주로 용해/응고법, 단결정 성장법에 의해 합성되지만, 구조적인 불균질성 및 많은 합성 에너지를 소비하는 단점이 있다. 또한 진성 HMS는 비교적 낮은 열전특성을 나타내기 때문에 도핑에 의한 열전특성의 개선이 필요하다. 본 연구에서는 HMS의 한 종류인 MnSi1.73에 Cr을 도핑한 화합물 MnSi1.73:Crx (x=0, 0.005, 0.01, 0.02, 0.03)를 고상반응(solid state reaction)과 진공 열간압축성형(hot pressing)을 통해 제조하였다. XRD와 Rietveld refinement를 통해 상변화 및 상분율을 분석하였고, 323~823 K까지 전기적 및 열적 특성을 측정하여 열전 성능지수(ZT)를 평가하였다.

• Journal of the Korean Ceramic Society
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• v.36 no.8
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• pp.848-852
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• 1999

• Proceedings of the Korean Powder Metallurgy Institute Conference
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• 2006.09a
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• pp.124-125
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• 2006

Multilayer ceramic capacitor (MLCC) miniaturization has increased the demand for superfine $BaTiO_3$ powder due to its thin dielectric layer. Hydrothermally synthesized $BaTiO_3$ powder a pseudo-cubic phase resulting in poor dielectric properties due to size effect and hydroxyl ion inclusion in the $BaTiO_3$ lattice. We attempted a superfine (lower than 100 nm) highly tetragonal $BaTiO_3$ powder via a solvothermal method without precipitating agent. The lattice parameters and the relative amounts of tetragonal and cubic phases were determined using Rietveld refinement.