• The Korean Journal of Ceramics
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• v.6 no.3
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• pp.236-239
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• 2000

Both the X-ray diffraction data of the normal direction in the sample orientation and the pole figure data of three reflections, (111), (200) and (220), were used to do the Rietveld refinement for the copper sheet prepared by a cold rolling process. The agreement between calculated and observed patterns was not satisfactory, which was attributed to the preferred orientation effect of the copper sheet. The Rietveld refinement for the copper sheet could be done successfully by applying the pole density of each reflection obtained from the corresponding inverse pole figure to the X-ray diffraction data of the normal direction. The R-weighted pattern, $R_{wp}$ was 12.99% and the goodness-of-fit indicator, S, was 3.68.

• The Korean Journal of Ceramics
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• v.6 no.3
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• pp.240-244
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• 2000

The three-dimensional orientation distribution function of a conical shaped tungsten liner prepared by the thermo-mechanical forming process was analyzed by 1.525$\AA$ neutrons to carry out the Rietveld refinement. The pole figure data of three reflections, (110)(220) and (211) were measured. The orientation distribution functions for the normal and radial directions were calculated by the WIMV method. The inverse pole figures of the normal and radial directions were obtained from their orientation distribution functions. The Rietveld refinement was performed with the RIETAN program that was slightly modified for the description of preferred orientation effect. We could successfully do the Rietveld refinement of the strongly textured tungsten liner by applying the pole density of each reflection obtained from the inverse pole figure to the calculated diffraction pattern. The correction method of preferred orientation effect based on the inverse pole figures showed a good improvement over the semi-empirical texture correction based on the direct usage of simple empirical functions.

• Journal of the Mineralogical Society of Korea
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• v.7 no.1
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• pp.62-79
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• 1994

The quanttative and structural analysis of the binary standard mixtures of albite and quartz, and microcline and albite were carried out using the Rietveld refinement method in order to investigate the accuracy and precision of the method. The quantitative analysis using the Rietveld method results in a standard deviation of 4 wt % for the albite-quartz standard mixtures and 1 wt % for the microcline-albite standard mixtures, suggesting that its accuracy is far better than that of the conventional XRD method in which only a few selected peaks are utilized. Furthermore, the unit-cell parameters of component minerals in mixtures were also estimated accurately during the analysis. It was observed that the refined weight fractions deviate systematically from their measured values when the method is applied to the mixtures that contain minerals with different degrees of preferred orientation, such as albite-quartz mixtures. The preferred orientation parameters and R-values suggest that the systematic deviation is caused as a result of the preferred orientation effect of feldspar crystallites. It is evident that the preferred orientation corrections are of help for the accurate determination of unit-cell parameters, although they may not improve the result of quantitative analysis significantly. The refined weight fraction of the mineral with higher degree of preferred orientation in mixture is greater than the measured one. This is apparently caused by the effect of geometry of feldspar crystallites in the surface of the mounted sample. The Rietveld refinement method minimizes the problems inherent in the traditional XRD methods, such as the line overlap, primary extinction, and preferred orientation effect, by fitting every data point in a whole pattern explicitly. Furthermore, accurate unit-cell parameters as well as scale factors that can be obtained from the Rietveld refinement are used for the quqantification. The present stdudy demonstrates that the Rietveld method yields far more accurate analytical result than the conventional XRD quantitative analysis method does.

• The Korean Journal of Ceramics
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• v.6 no.4
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• pp.354-358
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• 2000

The SnO$_2$film was deposited on a corning glass 1737 substrate by plasma enhanced chemical vapor deposition using a gas mixture of SnCl$_4$, $O_2$, and Ar. The film thickness was measured using $\alpha$-step and was about 9400$\AA$. The conventional X-ray diffractometry and pole figure attachment were used to refine the crystal structure of SnO$_2$ thin film. Six pole figures, (200), (211), (310), (301), (321), and (411), were measured with CoK$_\alpha$ radiation in reflection geometry. The X-ray diffraction data were measured at room temperature using CuK$_\alpha$ radiation with graphite monochromator. The agreement between calculated and observed patterns for the normal direction of SnO$_2$ thin film was not satisfactory due to the severely preferred orientation effect. The Rietveld refinement of heavily textured SnO$_2$ thin film was successfully achieved by adopting the pole density distribution of each reflection obtained from the inverse pole figure as a correction factor for the preferred orientation effect. The R-weighted pattern, R$_wp$, was 15.30%.

• 한국정보디스플레이학회:학술대회논문집
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• 2008.10a
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• pp.565-568
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• 2008

In this study, a blue-emitting $Sr_2MgSi_2O_7:Eu^{2+}$ (SMS) phosphor for white light-emitting diodes is reported. Through transition of $4f{\rightarrow}5d$ in $Eu^{2+}$, SMS showed a strong blue emission under UV excitation. Additionally, the variation of emission wavelength of SMS is explained by crystal field effect and is supported by rietveld refinement.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.31 no.3
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• pp.116-126
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• 2021

Diesel particulate filter (DPF) is a typical application field of cordierite (Mg₂Al₄Si₅O₁₈) honeycomb. Green body for DPF honeycomb was extruded using slurry paste and sintered at the temperature range of 980~1450℃. Quantitative crystal phase analysis was carried out by using Rietveld refinement method for powder XRD data. In conjunction with the quantitative Rietveld analysis, SEM-EDS analysis was carried for the crystal phases (indialite, cordierite, cristobalite, alumina, spinel, mullite, pro-enstatite). After removing amorphous phase on the sintered surfaces by chemical etching method, the shape and composition of the crystal phases can be clearly identified by SEM-EDS method. By combining the Rietveld refinement method and SEM-EDS analysis, crystal phase evolution process in DPF cordierite ceramics could be clarified. In addition, the coefficient of thermal expansion (CTE) of the DPF honeycombs were measured and compared with the calculated CTEs based on the quantitative crystal phase analysis results.

• Bulletin of the Korean Chemical Society
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• v.30 no.1
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• pp.183-187
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• 2009

The structure of nano-crystalline $MnFe_2O_4$ was determined and refined with electron powder diffraction data employing the Rietveld refinement technique. A nano-crystalline sample (with average crystal size of about 10.9 nm) was characterized by selected area electron diffraction in an energy-filtering transmission electron microscope operated at 120 kV. All reflection intensities were extracted from a digitized image plate using the program ELD and then used in the course of structure refinements employing the program FULLPROF for the Rietveld analysis. The final structure was refined in space group Fd-3m (# 227) with lattice parameters a=8.3413(7) $\AA$. The reliability factors of the refinement are $R_F$=7.98% and $R_B$=3.55%. Comparison of crystallographic data between electron powder diffraction data and reference data resulted in better agreement with ICSD-56121 rather than with ICSD-28517 which assumes an initial structure model.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.28 no.4
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• pp.152-158
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• 2018

PVT (Physical Vapor Transport) method has advantages in producing high quality, large scale wafers where many researches are being carried out to commercialize nitride semiconductors. However, complex process variables cause various defects when it had non-equilibrium growth conditions. Annealing process after crystal growth has been widely used to enhance the crystallinity. It is important to set appropriate temperature, pressure, and annealing time to improve crystallinity effectively. In this study, the effect of the annealing conditions on the crystalline structure variation of the AlN single crystal grown by PVT method was investigated with synchrotron whitebeam X-ray topography, electron backscattered diffraction (EBSD), and Rietveld refinement. X-ray topography analysis showed secondary phases, sub-grains, impurities including carbon inclusion in the single crystal before annealing. EBSD analyses identified that sub-grains with slightly tilted basal plane appeared and the overall number of grains increased after the annealing process. Rietveld refinement showed that the stress caused by the temperature gradient during the annealing process between top and bottom in the hot zone not only causes distortion of grains but also changes the lattice constant.

• Proceedings of the Korea Crystallographic Association Conference
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• 2002.05a
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• pp.23-23
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• 2002

• Journal of the Mineralogical Society of Korea
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• v.15 no.1
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• pp.59-68
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• 2002

Chemical analyses and Rietveld structural refinement with powder X-ray diffraction data were done for Nb-rich perovskite, named latrappite ($Ca_2NbFe^{3+}O_6$)from the Oka, Quebec, Canada. Latrappite is shown to be a member of a continuous solid solution of $CaTiO_3-NaNbO_3-Ca_2NbFe^{3+}O_6$ and approximately $(Ca_{1.5}Na_{0.4})\;(Nb_{0.1}Ti_{0.6}Fe_{0.4})O_6$ in composition. The crystal structure of latrappite, determined by Rietveld refinement, is similar to that of perovskite ($CaTiO_3$). It differs in that replacement of Ti by Nb and $Fe^{3+}$ results in greater distortion and tilting of the $TiO_6$ framework octahedra relative to $CaTiO_3$. Revised unit-cell parameters of latrappite are a=5.4474(4), b=5.5264(4), c=7.7519(5) ${\AA},\;V=233.4(3){\AA}^3$ space group Pbnm.