• Title/Summary/Keyword: Structure-spectra correlation

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The Research about the Correlation Between the Spontaneous Polarization of LuFe2O4 and Behavior of Iron by Mössbauer (뫼스바우어 분광법을 이용한 LuFe2O4의 자발분극과 철 이온의 거동과의 상관관계에 대한 연구)

  • Bang, Bong-Kyu;Kim, Chul-Sung;Kim, Sung-Baek;Cheong, S.W.
    • Journal of the Korean Magnetics Society
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    • v.17 no.1
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    • pp.10-13
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    • 2007
  • Single crystalline, $LuFe_2O_4$, was grown by the floating zone method. The crystal structure was a two-dimensional layered-type rhombohedral($R\={3}mh$) structure, with an $a_0=3.440(2)\;{\AA}\;and\;a\;c_0=25.263(2)\;{\AA}$. The magnetic $N\'{e}el$ temperature($T_N$) was determined to be 250 K. The $M\"{o}ssbauer$ spectrum at 12 K was fitted with four sextet sets which was resulted from the crystal structure. The spectrm at room temperature consisted of three singlets and a doublet with the electric quadrupole splitting. The isomer shift($\delta$) value of the singlet was $0.20{\pm}0.01mm/s$ relative to the Fe metal indicating the $Fe^{3+}$ valence state, and the value of the doublet was $0.70{\pm}0.01mm/s$ indicating $Fe^{2+}$. The $M\"{o}ssbauer$ absorption area ratio between $Fe^{3+}$ and $Fe^{2+}$ at room temperature was 1:1. The doublet phase of spectra gradually disappears by up to 360 K. At 360 K, the spectrum shows the singlet phase. We suggested that the spontaneous polarization effect of $LuFe_2O_4$ was caused by the change of iron behavior.

Effect of Composition on Isotropic Chemical Shift of Na Silicate and Aluminosilicate Glasses Using Solid State NMR (고상 핵자기공명 분광분석을 이용한 비정질 Na 규산염 및 알루미노규산염 내 조성에 따른 등방성 화학적 차폐 변화 규명)

  • Park, Sun Young;Lee, Sung Keun
    • Journal of the Mineralogical Society of Korea
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    • v.32 no.1
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    • pp.41-49
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    • 2019
  • Probing the Na environments in Na silicate and aluminosilicate glasses is essential to the macroscopic properties of melts in the Earth. In particular, exploring the atomic structure of Na silicate and aluminosilicate glasses reveals Na-O distance, which plays an important role in transport properties of melts. Here we report the local environment around Na using $^{23}Na$ magic angle spinning (MAS) NMR. We also obtain $^{23}Na$ isotropic chemical shift (${\delta}_{iso}$) of Na silicate and aluminosilicate glasses with varying composition using Dmfit program. The Q mas 1/2 model simulates the experimental results with three simulated peaks while the CzSimple model simulates with one peak. The ${\delta}_{iso}$ decreases with increasing $SiO_2$ content in Na silicate and aluminosilicate glasses. The ${\delta}_{iso}$ increases with increasing $Na_2O$ content in Na-Ca silicate and Na aluminosilicate glasses when the $SiO_2$ content is fixed. Considering the ${\delta}_{iso}$ of Na aluminosilicate glasses available in the previous studies, together with the current simulation results, we confirm that the ${\delta}_{iso}$ has positive correlation with Al / (Al + Si). Those experimental results were reproduced better using Q mas 1/2 model. The disorder of Na in Na silicate and aluminosilicate glasses can be revealed through the simulation of 1D $^{23}Na$ MAS NMR spectra using Dmfit program in a short time.