Journal of the Mineralogical Society of Korea (한국광물학회지)

The Mineralogical Society of Korea (한국광물학회)
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Determination of Crystal Size and Microstrain of $CeO_2$ by Rietveld Structure Refinement

리트벨트 구조분석법에 의한 $CeO_2$의 결정크기 및 미세응력 결정

  • Hwang, Gil-Chan (Department of Earth and Environmental Sciences and Research Institute of Natural Sciences, Gyeongsang National University) ;
  • Choi, Jin-Beom (Department of Earth and Environmental Sciences and Research Institute of Natural Sciences, Gyeongsang National University)
  • 황길찬 (경상대학교 지구환경과학과, 경상대학교 기초과학연구소) ;
  • 최진범 (경상대학교 지구환경과학과, 경상대학교 기초과학연구소)
  • Published : 2008.06.30
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Abstract

Ceria ($CeO_2$) becomes one of important functional nanomaterials and a key abrasive material for chemical-mechanical planarization (CMP) of advanced integrated circuits in silicon semi-conductor technology. Two synthetic crystalline ceria (RT735, RT835) are studied by the Rietveld structural refinement to determine crystallite size and microstrain. Rietveld indices of RT735 and RT835 indicate good fitting with $R_p(%)=8.50$, 8.34; $R_{wp}(%)=13.4$, 13.5; $R_{exp}(%)=11.3$, 11.5; $R_B(%)=2.21$, 2.36; S(GofF: Goodness of fit)=1.2, 1.2, respectively. $CeO_2$ with space group Fm3m show a=5.41074(2), 5.41130(6) ${\AA}$, V=158.406(1), 158.455(3)${\AA}^3$ in dimension. Detailed Rietveld refinement reveals that crystallite size and microstrain are 37.42(1) nm, 0.0026 (RT735) and 72.80(2) nm, 0.0013 (RT835), respectively. It also shows that crystallite size and microstrain of ceria are inversely proportional to each other.

최근 기능성 나노물질로서 반도체 공정 중 기계.화학적 평탄화(CMP)용 연마제로 중요하게 사용되는 세리아(Ceria, $CeO_2$)에 대해서 X-선 회절분석을 실시하여 리트벨트법에 의한 상세한 구조해석 및 세리아의 입자크기와 미세응력을 측정하였다. 두 시료(RT735. RT835)의 리트벨트 계산 결과 R지수 값은 각각 $R_p(%)=8.50$, 8.34; $R_{wp}(%)=13.4$, 13.5; $R_{exp}(%)=11.3$, 11.5; $R_B(%)=2.21$, 2.36; S(GofF: Goodness of fit)=1.2, 1.2를 보여주며 계산이 잘 이루어졌음을 알 수 있다. $CeO_2$는 공간군 Fm3m을 가지며, 격자상수는 a=5.41074(2), 5.41130(6) ${\AA}$, V=158.406(1), 158.455(3) ${\AA}^3$으로 각각 계산되었다. 입자크기 및 미세응력 계산 결과, RT735의 평균 입자크기와 최대 응력은 37.42(1) nm, 0.0026이며, RT835는 72.80(2) nm, 0.0013으로 각각 결정되었다. 입자크기와 미세응력은 서로 반비례함을 알 수 있다.

Keywords

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