• 제목/요약/키워드: Rietveld

검색결과 167건 처리시간 0.03초

Rietveld Analysis of Nano-crystalline MnFe2O4 with Electron Powder Diffraction

  • Kim, Jin-Gyu;Seo, Jung-Wook;Cheon, Jin-Woo;Kim, Youn-Joong
    • Bulletin of the Korean Chemical Society
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    • 제30권1호
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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.

Rietveld 법을 이용한 $(Na_{0.3}Sr_{0.7})(Ti_{0.7}M_{0.3})O_3 (M=Ta, Nb)$ 계에서의 결정구조 해석과 상전이 특성 (Phase Transition adn Crystal Structure Analysis Using Rietveld Method in the $(Na_{0.3}Sr_{0.7})(Ti_{0.7}M_{0.3})O_3 (M=Ta, Nb)$ System)

  • 정훈택;김호기
    • 한국세라믹학회지
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    • 제32권5호
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    • pp.582-586
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    • 1995
  • The crystal structures of (Na0.3Sr0.7)(Ti0.7M0.3)O3 (M=Ta, Nb) compounds were determined using the Rietveld method. Due to the tilting of a oxygen octahedron, (Na0.3Sr0.7)(Ti0.7Nb0.3)O3 had a superlattice of doubled a, b and c of simple perovskite. The crystal structure of (Na0.3Sr0.7)(Ti0.7M0.3)O3 was tetragonal with a space group 14/mmm. The crystal structure of (Na0.3Sr0.7)(Ti0.7M0.3)O3 was a cubic with space group Pm3m, in which no tilting of oxygen octahedron was observed. The difference in the oxygen tilting of these two materials was due to the larger covalency of Nb-O bond than that of Ta-O bond, which induced a strong $\pi$Nb0 bonding in (Na0.3Sr0.7)(Ti0.7M0.3)O3. Therefore, the higher transition temperature of (Na0.3Sr0.7)(Ti0.7M0.3)O3 could be related to the larger tilting of oxygen octahedron.

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Application of Inverse Pole Figure to Rietveld Refinement: III. Rietveld Refinement of $SnO_2$ Thin Film using X-ray Diffraction Data

  • Kim, Yong-Il;Jung, Maeng-Joon;Kim, Kwang-Ho
    • The Korean Journal of Ceramics
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    • 제6권4호
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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%.

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리트벨트 해석법을 이용한 $Y_1Ba_2Cu_3O_x$ 고온 초전도체의 구조분석 (The structure analysis of $Y_1Ba_2Cu_3O_x$ high Tc superconductor based on rietveld method)

  • 채기병;소대화
    • E2M - 전기 전자와 첨단 소재
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    • 제8권6호
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    • pp.780-786
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    • 1995
  • For the execution of RIETAN program adopting Rietveld Analysis Method, the sample superconductor is made according to the solid state synthesis method at 920.deg. C for 24hrs, and was examined for the optimization of parameters needed to analyze Rietveld method with the input of the measured pattern data after measuring the pattern resulted from the X-ray diffraction. It was proven that the lattice constant of the superconductor which was consisted of Pmmm orthorhombic crystal structure in the analyzed space group correspond to the presented theoretical lattice constant a=3.8887(8).angs., b=3.8238(4).angs., c=11.7079.angs.. Therefore, it was examined and confin-ned that the R factor, which was compensated after analyzing the structure of superconductor resulted from this experimented data with the computer simulation, was refined to $R_{wp}$=8.83[%], $R_{P}$=6.47[%], $R_{I}$=10.08[%], $R_{F}$=7.19[%], $R_{E}$=3.76[%]. On the basis of these experimental data, the significant parameter such as the scale factor(S) and the zero point shift(Z) and FWHM value(U,V,W) were optimized as follows; S=2.0827E-3, Z=0.2146, U=4.2761E-2, V=1.7983E-2, and W=2.6768E-2.2.2.2.2.2.

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실용적이고 최적화된 광물정량분석법 연구 (A Study of Practical and Optimized Mineral Quantification)

  • 손병국;안기오
    • 광물과 암석
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    • 제34권4호
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    • pp.227-239
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    • 2021
  • 자연산 시료의 광물함량을 X-선 분말회절분석에 의하여 실용적이고 효과적으로 정량분석하는 방법에 대하여 연구하였다. 이를 위하여 무작위 배향된 분말시료 마운트(randomly oriented powder sample mount)를 최적으로 제작하는 실험을 하였으며, 단일 피크강도를 표준물질과 비교하여 정량분석하는 레퍼런스 강도비(RIR) 방법과 X-선 회절도의 전패턴을 계산하는 리트벨드 방법의 효율성을 비교하는 실험을 수행 하였다. 또한, 비정질 광물이 포함된 시료를 리트벨드 방법에 의하여 정량분석하고 효율성을 검토하였다. 연구결과, 측면 마운팅(side mounting) 방법에 의하여 최적의 무작위 배향(random orientation)에 도달할 수 있었다. 또한, 특정 피크를 사용하는 RIR방법보다는 X-선 회절도의 전패턴을 사용하는 리트벨드 방법이 정량분석에 더 적합하였다. 그러나 어느 방법이든 분석기술 뿐만 아니라 분석자의 숙련된 경험을 필요로 한다. 리트벨드 방법에 의해 비정질 광물도 정량분석할 수 있었으며 분석결과는 지질해석을 가능하게 하였다.

리트벨트 작품의 공간표현 형식에 관한 연구 - 몽드리앙 작품과의 비교를 중심으로 - (A Study on the form of spatial expression shown in Rietveld's works - Focused on comparing with Mondrian's works -)

  • 박영경
    • 한국실내디자인학회논문집
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    • 제40호
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    • pp.68-75
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    • 2003
  • The purpose of this study is to find out the expression style of space in Rietveld's early works in comparison with Mondrian's paintings. Through investigating the development of their works and analyzing the composition and disposition type of elements such as point, line, plane, color in the selected works, we can draw the following conclusions. .First, Rietveld pursues the dissolution of traditional volume and the de-composition of elements as Mondrian does. Second, the painterly property of plane is emphasized by the projection of separately floating elements on the picture plane. Third, the separating the layer of lines from the layer of planes and the re-combination of these two layers present the superimpositional image of three-dimensional objects. This leads into new conception of architectural space and develops the transparency and the extension of plan in modem architecture.

ZnS multi-phase에 따른 발광특성 연구 (Study on the Luminescence Properties according to ZnS multi-phase)

  • 김광복;김용일;천희곤;조동율;구경완
    • 한국전기전자재료학회논문지
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    • 제14권1호
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    • pp.48-53
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    • 2001
  • The crystal structure of ZnS fabricated by gas-liquid phase reaction was refined by the Rietveld program using X-ray diffraction data. The R-weighted pattern (R$\sub$wp/) of ZnS powder was 10.85%. The fraction of HCP phase was closely related with extra amount of H$_2$S gas. The lattice parameters and crystalline size were changed by the relative ratio of multi-phase. The luminescence property of ZnS:Cu, Al green phosphors prepared by conventional methods was good in the range of 91∼94% and 150∼190${\AA}$, respectively. According to the maximum entropy electron density(MEED) methods, any defects in (001) plane of cubic phase were not found. We suggest that both the Rietveld and maximum entropy density methods may be useful tools for studying luminescence mechanism of other phosphors materials.

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Rietveld refinement study on variation of emission wavelength of $(Sr_{1-x},Ca_x)_2MgSi_2O_7:Eu^{2+}$ phosphor for white LED applications

  • Kwon, Ki-Hyuk;Im, Won-Bin;Jang, Ho-Seong;Yoo, Hyoung-Sun;Jeon, Duk-Young
    • 한국정보디스플레이학회:학술대회논문집
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    • 한국정보디스플레이학회 2008년도 International Meeting on Information Display
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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.

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마게마이트(${\gamma}$-Fe$_2$O$_3$)대한 연구 I -분말 X-선 회절무늬의 Rietveld 분석- (An Study on the Structure of Maghemite(${\gamma}$-Fe$_2$O$_3$) I -Rietveld Analysis of Powder XRD Patterns-)

  • 신형섭
    • 한국세라믹학회지
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    • 제35권10호
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    • pp.1113-1119
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    • 1998
  • Crystal structure of needle-shaped maghemite(${\gamma}$-{{{{ { {Fe }_{2 }O }_{3 } }}) has been studied by the Rieveld analysis of powder X-ray diffraction patterns. The tetragonal space group P41,.3212 and cubic space group P41,.32 have been have been used for the refinement of X-ray diffraction patterns. The crystal system of maghemite is closed to tetragonal more than cubic. The tetragonal lattice parameters are a=8.3460$\AA$ and c=25.034$\AA$ The standard X-ray diffraction pattern of the tetragonal maghemite analyzed with space group P41,.3212 is proposed.

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점토질 암석의 광물정량 분석법 연구 (A Study of Mineral Quantification on Clay-Rich Rocks)

  • 손병국;안기오
    • 광물과 암석
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    • 제35권4호
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    • pp.431-445
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    • 2022
  • 점토질 암석의 광물함량을 효과적이고 실용적으로 분석하는 방법을 X-선 분말회절분석 실험을 통하여 연구하였다. 점토질 암석의 X-선 분말회절 정량분석을 위해서는 측면마운팅(side mounting) 방법에 의한 무작위 배향(random orientation)의 전암(whole-rock) 분말시료의 준비가 필요하다. 또한, 암석을 구성하고 있는 점토광물의 감정을 위하여 2 ㎛ 이하 점토입도의 배향성 마운트(oriented mount)시편의 준비와 에틸렌글리콜 처리, 열처리 등의 실험과정이 요구된다. 정량분석을 위하여 RIR(reference intensity ratio)방법과 리트벨트(Rietveld) 회절도 계산 방법을 사용하였다. RIR값을 사용하여 전암 X-선 회절도로부터 총 점토 함량과 비점토광물(non-clay minerals)들의 함량을 얻을 수가 있었다. 또한, 점토입도의 배향성 X-선 회절도로부터는 각각 점토광물의 상대함량을 계산하여 이를 총 점토광물에 할당할 수가 있었다. 전암 X-선 회절의 리트벨트 방법에서는 10°(2θ) 미만의 X-선 회절 영역은 제외한 후에 리트벨트 회절도를 계산하였을 때 효과적인 정량분석 값을 얻을 수 있었다. 분석결과는 RIR방법과 리트벨트 방법이 서로 근사한 정량분석 값을 보여주었다. 따라서, 연구결과는 실험실에서의 일상적인 점토질암의 광물정량분석을 성공적으로 수행하는 것이 가능함을 지시한다. 그러나, 점토광물은 화학적 및 구조적 특정이 다른 수많은 변종이 존재하기 때문에 점토질암의 정량분석은 아직도 도전해야 하는 과제이다.