• Journal of Magnetics
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• 제14권2호
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• pp.86-89
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• 2009

Structural and magnetic properties of polycrystalline $CaFe_2O_4$ prepared by the solid state reaction method were studied using powder X-ray diffraction (XRD) and $M{\ddot{o}}ssbauer$ spectroscopy. The structure of $CaFe_2O_4$ belongs to an orthorhombic system (space group: Pnma) with the lattice parameters $a=9.2373\;{\AA}$, $b=3.0237\;{\AA}$, and $c=10.7124\;{\AA}$. Results of structural refinement indicate, however, that there are two slightly different iron sites in the sample. The $M{\ddot{o}}ssbauer$ spectrum at 4.2 K shows a hyperfine sextet with a hyperfine magnetic field and an isomer shift of 47.3 T and 0.36 mm/s, respectively. An examination of the spectrum revealed that the line widths of the spectral lines were not uniform. The degree of asymmetric line broadening decreases with increasing temperature, suggesting that the difference in the degree of crystalline distortions between two $FeO_6$ octahedra is eliminated as the temperature rises.

• 한국결정학회:학술대회논문집
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• 한국결정학회 2003년도 춘계학술연구발표회
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• pp.8-8
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• 2003

Electron-phonon interaction plays a significant role in forming of colossal magnetoresistance effect (CMR). Polaron formation was observed by neutron diffraction and by extended X-ray absorption fine structure (EXAFS) analysis. Local probe as given by the EXAFS is a useful method to study the polaronic charge and its dependence on temperature and ions size. Here we present the EXAFS study of polaronic charge in La/sub 0.7/Ca/sub 0.3-X/Ba/sub X/MnO₃ compositions. The single phase La/sub 0.7/Ca/sub 0.3-X/Ba/sub X/MnO₃ manganites (x=0; 0.03; 0.06, ..., 0.3) were prepared by ceramic technology [1]. The Curie temperature was determined by extrapolation of the temperature dependence of the magnetization (down to zero magnetization). EXAFS experiments were carried out at the 7C EC beam line of the Pohang Light Source (PLS) in Korea. The atomic pair distribution functions (PDF) were obtained by re-regularization method [2] from filtered spectra. The PDF for the x=0.3 sample showed a single peak function and for x=0.0, 0.03, 0.06, 0.09, 0.12 compositions were asymmetric in agreement with a small Jahn-Teller elongation of two (short and long) bonds of the MnO/sub 6/ octahedron. Dispersion, σ/sub Min-O//sup 2/, and asymmetry, σ/sub Min-O//sup 3/, of the Mn-O bond distances varied significantly with x and showed a maximums at x=0.09. The maximum of σ/sub Min-O//sup 2/ is caused by increase of dynamic rms displacements of the Mn-O distances near the T/sub C/. The observed x dependence of σ/sub Min-O//sup 3/ reflects the reduction of charge carriers mobility at approaching to T/sub C/ from low as well as high temperatures.

• Journal of Microbiology and Biotechnology
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• 제18권2호
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• pp.283-286
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• 2008

The methylenetetrahydrofolate dehydrogenase/cyclohydrolase (MTHFDC) from the thermoacidophilic archaeon Thermoplasma acidophilum is a 30.6kDa molecular-mass enzyme that sequentially catalyzes the conversion of formyltetrahydrofollate to methylenetetrahydrofolate, with a preference for NADP as a cofactor, rather than NAD. In order to elucidate the functional and structural features of MTHFDC from archaeons at a molecular level, it was overexpressed in Escherichia coli and crystallized in the presence of its cofactor, NADP, at 295K using polyethylene glycol (PEG) 4000 as a precipitant. The crystal is a member of the monoclinic space group $P2_1$, with the following unit cell parameters: $a=66.333{\AA},\;b=52.868{\AA},\;c=86.099{\AA},\;and\;{\beta}=97.570^{\circ}$, and diffracts to a resolution of at least $2.40{\AA}$ at the synchrotron. Assuming a dimer in the crystallographic asymmetric unit, the calculated Matthews parameter $(V_M)\;was\;2.44{\AA}^3/Da$ and the solvent content was 49.7%.

• BMB Reports
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• 제31권6호
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• pp.600-603
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• 1998

A highly thermostable xylose isomerase from Thermus thermophilus has been expressed in Escherichia coli and crystallized. The purified enzyme shows its optimum temperature at $90^{\circ}C$. It has been crystallized at room temperature using polyethylene glycol 4000 as the precipitant. The crystal belongs to the orthorhombic space group $P2_12_12_1$, with unit cell parameters of a = 73.34 ${\AA}$, b = 144.05 ${\AA}$, c = 155.07 ${\AA}$. The presence of one molecule of tetrameric xylose isomerase in the asymmetric unit gives a crystal volume per protein mass ($V_m$) of 2.32 ${\AA}^3/Da$ and the solvent content of 47.0% by volume. The diffraction pattern extends to 1.9 ${\AA}$ Bragg spacing with synchrotron radiation and a set of native data has been collected to 2.3 ${\AA}$.

• 한국결정학회지
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• 제13권3_4호
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• pp.152-157
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• 2002

X선 회절법을 이용하여 Tricyclazole, C/sub9/H/sub7/N₃S 분자 및 결정 구조를 규명하였다. 화합물의 결정학 자료: Orthorhombic 공간군 Pca2₁, a=14.889(1) Å, b=7.444(1) Å, c=15.189(2) Å, V=1683.3(3) ų, Z= 8분자 구조는 직접법으로 풀었고 완전최소자승법으로 정밀화하여 1533(F/sub o//sup 2/>4σ(F/sub o//sup 2/))인 독립회절반점에 대하여 최종 신뢰도값 R=0.047을 얻었다. 구조 해석 결과 두 분자가 asymmetric 단위로 구성되어 있으며 각각의 분자는 서로 거의 평형을 이루면서 b축 방향으로 유사 4-fold screw를 이루고 있었다.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2009년도 제38회 동계학술대회 초록집
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• pp.453-453
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• 2010

In this study, zinc germanate ($Zn_2GeO_4$) thin films has been synthesized by using radio frequency magnetron sputtering and the divalent manganese-activated luminescence was characterized. X-ray diffraction patterns of the as-deposited $Zn_2GeO_4$:Mn films showed only a broad feature, indicative of an amorphous structure. Scanning electron microscopy images revealed that the as-deposited $Zn_2GeO_4$:Mn has a smooth surface morphology. The $Zn_2GeO_4$:Mn films were found to be crystallized by annealing in air ambient at temperatures as low as $700^{\circ}C$. The annealed $Zn_2GeO_4$:Mn possessed a rhombohedral polycrystalline structure. The broad-band photoluminescent emission spectrum from 470 to 650nm was obtained at room temperature from the $Zn_2GeO_4$:Mn films. The emission peak was centered at around 535nm in the green range, which originates from the intrashell transition of manganese $3d^5$ electrons from $^4T_1$ excited-state level to the $^6A_1$ ground state. The PL emission spectrum had an asymmetric line shape, which results from the $^3d_5$ electron transitions of divalent manganese ions located at different sites of the zinc germanate host crystal lattice. Electroluminescent devices were fabricated using $Zn_2GeO_4$:Mn as an emission layer. The fabricated devices showed a green EL emission similar to the PL emission. The CIE chromaticity color coordinates of the EL emission were determined to be x=0.308 and y=0.657.

• 한국결정성장학회지
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• 제7권1호
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• pp.59-69
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• 1997

이트리움 실리사이드($YSi_2$)는 $400^{\circ}C$ 이상의 진공열처리 중 고상반응에 의하여 (100)Si 기판상에서 $YSi_2$의 (1100)면이 방향성 성장을 하였으며, $YSi_2$ 박막과 (100)Si 기판과의 방위관계는 [0001]$YSi_2$//[011i]Si과 [0001]$YSi_2$//[011]Si이었다. 그러나 방위관계에서도 알 수 있는 바와 같이 $YSi_2$는 [1100]$YSi_2$의 domain이 상호간에 $90^{\circ}$의 방위각을 이루며 성장하는 이른바 double-domain 구조를 나타내었다. 이는(1100)$YSi_2$면과 Si기판과의 계면에서 커다란 격자 불일치의 이방성 때문이라 생각되며, 각각의 domain은 (2201) 비대칭 반사면의 $\omega$-mode rocking curve 측정 결과, 거의 동등한 체적율과 결정성을 나타내었다. 본 연구에서는 이러한 double-domain의 형성기구를 (1100)$YSi_2$면과 (100)Si기판과의 계면에서 정합 모델에 근거한 기하학적 matching 관계로 설명하였다.

• Bulletin of the Korean Chemical Society
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• 제35권7호
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• pp.2086-2092
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• 2014

Two novel coordination compounds $[Cu_2(pypya)_3(H_2O)_2]{\cdot}Cl{\cdot}(H_2O)_5$ (1) and $\{[Cd(pypya)(ta)_{1/2}]{\cdot}H_2O\}_n$ (2) (Hpypya=2-(3-(pyridin-2-yl)-1H-pyrazol-1-yl)acetic acid, $H_2ta$=terephthalic acid) were synthesized and characterized by single X-ray diffraction. Structure determination reveals that complex 1 and complex 2 crystallize in the triclinic system, with the P-1 space group. The asymmetric unit of 1 contains two Cu(II) ions, and their coordination modes are different. These units of complex 1 are linked together via hydrogen bonds and ${\pi}-{\pi}$ interactions, and the 3D structure of complex 1 was formed. Complex 2, a mononuclear Cd(II) coordination compound, has a 2D structure which was constructed via coordination bonds. TGA and fluorescence spectra analysis of complex 1 and complex 2 have also been studied. In addition, the geometry parameters of complex 1 have been optimized with the B3LYP method of density functional theory (DFT) to explain its coordination behavior. The electronic properties of the complex 1 and ligand Hpypya have been investigated based on the nature bond orbital (NBO) analysis at the B3LYP level of theory. The result verifies that the synergistic effect have occurred in the compound.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2010년도 제39회 하계학술대회 초록집
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• pp.157-157
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• 2010

Vertical-structure light-emitting diodes (V-LEDs) by laser lift-off (LLO) have been exploited for high-efficiency GaN-based LEDs of solid-state lightings. In V-LEDs, emitted light from active regions is reflected-up from reflective ohmic contacts on p-GaN. Therefore, silver (Ag) is very suitable for reflective contacts due to its high reflectance (>95%) and surface plasmon coupling to visible light emissions. In addition, low contact resistivity has been obtained from Ag-based ohmic contacts annealed in oxygen ambient. However, annealing in oxygen ambient causes Ag to be oxidized and/or agglomerated, leading to degradation in both electrical and optical properties. Therefore, preventing Ag from oxidation and/or agglomeration is a key aspect for high-performance V-LEDs. In this work, we demonstrate the enhanced thermal stability of Ag-based Ohmic contact to p-GaN by reducing the thermal compressive stress. The thermal compressive stress due to the large difference in CTE between GaN ($5.6{\times}10^{-6}/^{\circ}C$) and Ag ($18.9{\times}10^{-6}/^{\circ}C$) accelerate the diffusion of Ag atoms, leading to Ag agglomeration. Therefore, by increasing the additional residual tensile stress in Ag film, the thermal compressive stress could be reduced, resulting in the enhancement of Ag agglomeration resistance. We employ the thin Ni layer in Ag film to form Ni/Ag mutli-layer structure, because the lattice constant of NiO ($4.176\;{\AA}$ is larger than that of Ag ($4.086\;{\AA}$). High-resolution symmetric and asymmetric X-ray diffraction was used to measure the in-plane strain of Ag films. Due to the expansion of lattice constant by oxidation of Ni into NiO layer, Ag layer in Ni/Ag multi-layer structure was tensilely strained after annealing. Based on experimental results, it could be concluded that the reduction of thermal compressive stress by additional tensile stress in Ag film plays a critical role to enhance the thermal stability of Ag-based Ohmic contact to p-GaN.

• 자원환경지질
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• 제29권3호
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• pp.269-279
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• 1996

Dehydroxylation and mullitization of primary and secondary kaolins were investigated in order to compare and understand the differences in thermal behaviours by DTA and TG up to $1,100^{\circ}C$. Chemical analyses and EPMA of the samples revealed nearly ideal unit-cell formulae of kaolins. The weight losses of dickite and halloysite are 14% and 12.5% on the average, respectively. The activation energies of dehydroxylation of kaolin minerals were calculated according to Kissinger's approach which uses various heating rates in DTA to estimate the activation energy of thermal reactions. The activation energies of dehydroxylation of halloysites from Daemoung and Buksam mines are about $163kJmor^{-1}$ (white), $168kJmor^{-1}$ (pink), and $176kJmor^{-1}$ respectively. The activation energies of dickites collected from Sungsan and Ogmae mines are about $166kJmor^{-1}$ and $387kJmor^{-1}$. The asymmetric shape of endothermic peak in DTA, the relative intensities of OH-stretching bands in FTIR spectroscopy and the existence of residual XRD peaks of the samples which were heated at $550^{\circ}C$ for 2 hours indicate that Sungsan dickite may be more disordered than Ogmae dickite. The new phase formed in thermally treated samples in the range of $900^{\circ}C$ to $1,100^{\circ}C$ was identified as mullite by XRD on the basis of disappearing of the characteristic peaks of kaolins and increasing of amorphous background upon heat treatment. On further heating, loss of more water from dehydroxylate resulted in the formation of mullite and the characteristic X-ray diffraction patterns of mullite began to appear at about $900{\sim}1,000^{\circ}C$ in kaolins.