• Title/Summary/Keyword: Crystallographic

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Frontiers in Magneto-optics of Magnetophotonic Crystals

  • Inoue, M.;Fedyanin, A.A.;Baryshev, A.V.;Khanikaev, A.B.;Uchida, H.;Granovsky, A.B.
    • Journal of Magnetics
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    • v.11 no.4
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    • pp.195-207
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    • 2006
  • The recently published and new results on design and fabrication of magnetophotonic crystals of different dimensionality are surveyed. Coupling of polarized light to 3D photonic crystals based on synthetic opals was studied in the case of low dielectric contrast. Transmissivity of opals was demonstrated to strongly depend on the propagation direction of light and its polarization. It was shown that in a vicinity of the frequency of a single Bragg resonance in a 3D photonic crystal the incident linearly polarized light excites inside the crystal the TE- and TM-eigen modes which passing through the crystal is influenced by Brags diffraction of electromagnetic field from different (hkl) sets of crystallographic planes. We also measured the faraday effect of opals immersed in a magneto-optically active liquid. It was shown that the behavior of the faraday rotation spectrum of the system of the opal sample and magneto-optically active liquid directly interrelates with transmittance anisotropy of the opal sample. The photonic band structure, transmittance and Faraday rotation of the light in three-dimensional magnetophotonic crystals of simple cubic and face centered cubic lattices formed from magneto-optically active spheres where studied by the layer Korringa-Kohn-Rostoker method. We found that a photonic band structure is most significantly altered by the magneto-optical activity of spheres for the high-symmetry directions where the degeneracies between TE and TM polarized modes for the corresponding non-magnetic photonic crystals exist. The significant enhancement of the Faraday rotation appears for these directions in the proximity of the band edges, because of the slowing down of the light. New approaches for one-dimensional magnetophotonic crystals fabrication optimized for the magneto-optical Faraday effect enhancement are proposed and realized. One-dimensional magnetophotonic crystals utilizing the second and the third photonic band gaps optimized for the Faraday effect enhancement have been successfully fabricated. Additionally, magnetophotonic crystals consist of a stack of ferrimagnetic Bi-substituted yttrium-iron garnet layers alternated with dielectric silicon oxide layers of the same optical thickness. High refractive index difference provides the strong spatial localization of the electromagnetic field with the wavelength corresponding to the long-wavelength edge of the photonic band gap.

Studies on Crystallographic and Magnetic Properties of the Sn0.9957Fe0.01O2 (Sn0.9957Fe0.01O2의 결정학적 및 자기적 성질에 관한 연구)

  • Li, Yong-Hui;Kim, Sam-Jin;Kim, Chul-Sung
    • Journal of the Korean Magnetics Society
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    • v.20 no.5
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    • pp.187-190
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    • 2010
  • $Sn_{0.99}{^{57}Fe}_{0.01}O_2$ prepared by a sol-gel method, and studied by x-ray diffractometer, vibrating magnetometer, Superconducting quantum interference devices and M$\ddot{o}$ssbauer spectroscopy. the crystal structure were found to be a rutile tetragonal structure with space group $P4_2$/mnm, and oxygen deficiency are 5.6 % by Rietveld refinement. magnetization value were $M_s=1.95{\times}10^{-2}{\mu}_B/Fe$ at room temperature, and Curri-weiss temperature were and ${\theta}_{cw}$ = 18 k, measurement of VSM and SQUID, respectively. Mssbauer spectra of $Sn_{0.99}{^{57}Fe}_{0.01}O_2$ have been Sextet taken at various temperatures ranging from 4.2 K to RT, and isomer shift value $\delta$ = 0.18~0.36 mm/s of $^{57}Fe$ ion site all of the temperature range the state shows ferric.

The Multiferroic Properties Study of YMn2-xFexO5 (x=0.00, 0.01) by Neutron Diffraction (고 분해능 중성자 회절 실험에 의한 YMn2-xFexO5 (x = 0.00, 0.01)의 다강체 특성 연구)

  • Kim, Dong-Hyun;Kim, Chul-Sung
    • Journal of the Korean Magnetics Society
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    • v.17 no.5
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    • pp.183-187
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    • 2007
  • Compounds of multiferroic materials $YMn_{2-x}Fe_xO_5$ (x = 0.00, 0.01) were prepared using the sol-gel method. The crystallographic, magnetic and electric properties are studied using x-ray diffraction (XRD), neutron diffraction, vibrating sample magnetometer (VSM) and physical property measurement system (PPMS). The crystalline structure of $YMn_2O_5$ was found to be orthorhombic (Pbam) at room temperature. The lattice constants of $YMn_2O_5$ were determined to be $a_0=7.275\;{\AA},\;b_0=8.487\;{\AA},\;c_0=5.674\;{\AA}$. The lattice constants not changed with Fe concentrations. Our data demonstrate the correlation of magnetic and electric properties in $YMn_2O_5$ materials.

Two Possible Space Groups of Ttis(tekaethylammonium) [bis(trimetaphosphate $\kappa^3O, O^', O^{"}$)] Vanadate(3-),$[V(P_3O_9)_2](NC_8H_{20})3$ (Tris(tetraethylammnnium) [bis(trimetaphosphate $\kappa^3O, O^', O^{"}$)] Vamdate(3-),$[V(P_3O_9)_2](NC_8H_{20})_3$,의 두가지 가능한 공간군)

  • 서일환;이진호
    • Korean Journal of Crystallography
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    • v.5 no.1
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    • pp.1-6
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    • 1994
  • Two possible space groups of the comfound, VP6N3018C24H:60, are: P 1, a=14.022(1), b=12.644(2), c= 12.640(1)A, a=8038(1), B=102.12(1), r=102.16(1), V=2124.1A3, Z=2, μ=0.47cm-1, d=1.46g/cm3, R=0.083 for 3350 independent reflections with Fo>4o IFI, and C2/c, a=19.32(2), b=16.32(2), c=14.02(1)A, B=105.98(5), β=105.98(5), V=4248.2A3, Z=4 R=0.083 for 1590 independent reflections with Fo>4c IFoI . In the space group P T, there are two monlecules in a unit cell. Vanadium atoms in the two monlecules occupy the two different special positions such that the complete monlecules are accomplished by the two independent center of symmetry. Therefore two different half molecules of bis(trimetaphosphate)vanadate and three molecules of tetraethylammonium are the asymmetric unit in a unit cell. In the space group C2/c, however, the vanadium atom is located at a special position with centrosymmetry, and a two-fold symmetry axis passes through C2/c, N2 and C25 atoms. Therefore the asymmrtic unit in a unit cell consists of a half molecule of bis(trimetaphosphate)vanadate and one and a half molecules of tetraethylammonium. All the molecular conformations in both space groups are very similar: six oxygen atoms coordinated to a vanadium atom in the bi s(trimetaphosphate)vanadate molecule form an octahedron and the four carbon atoms bonded to a nitrogen atom in the tetraethylammonium molecule are disordered so that the eight carbon atoms around nitrogen atom exhibit an irregular dodecahedral form.

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Properties of Thick Films Prepared with $V_2O_5$-doped Ferrite Pastes ($V_2O_5$ 도핑한 페라이트 페이스트 후막 특성)

  • 제해준;김병국;박재환;박재관
    • Korean Journal of Crystallography
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    • v.12 no.2
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    • pp.70-75
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    • 2001
  • The purpose of this study is to investigate the effect of V₂O/sub 5/ addition on physical and magnetic properties of NiCuZn ferrite for multi-layer chip inductors. NiCuZn ferrite pastes doped with 0, 0.1, 0.3 and 0.5 wt% V₂O/sub 5/ were prepared and samples of ferrite sheets were prepared by the screen printing method. They were sintered at 870, 880, 890 and 900℃, and then their physical and magnetic properties were analyzed. After sintering at 870℃, the sintered density of the ferrite sheet doped with 0.5wt% V₂O/sub 5/ showed the highest value to 5.08g/cm³due to the best densification by the liquid phase sintering, while the microstructures of ferrite sheets doped with 0.1 and 0.3 wt% V₂O/sub 5/ showed and inhibited grain growth. Irrespective of the sintering temperature, the initial permeability of ferrite sheet doped with 0.5 wt% V₂O/sub 5/ was highest and after sintering beyond 880℃, the quality factor of 0.3 wt% V₂O/sub 5/-doped sample appeared to be highest.

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X-ray Analys is of the Thermotropic Liquid Crystalline Copolyester Poly(1 -phenylethylpphenylene-tere phthalate) (열방성 액정폴리에스터Poly(1-phenylethyl.p-phenyleneterephthalate)의 X-선 결정구조해석)

  • 홍성권
    • Korean Journal of Crystallography
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    • v.2 no.2
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    • pp.13-21
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    • 1991
  • X-ray methods have been used to determine the chain conformation and packing of the thermotropic liquid crystalline copolyester prepared from 50% tarephthaloyl chloride(TPA) and 50% (1-phenylethyl) hydroquinone(PEHQ). The x-ray patterns of annealed melt-spun fibers contain a series of annealed melt-Pointing to a well ordered crystalline structure, despite the random sense(2 or 3-) of the 1-phenylethyl substiuttion on the TPA-hydroquinone backbone. The crystalline fiber is monoclinic with space group P2l and the unit cell has dimensions 11=12.77 A, b=10.17 A (upique axis), c=12.58 h (fiber axis). and β=90.1° and contains TPA-PEHO units of to or chains. The random substitution of 1-phenylethyl groups was modelled by placing these groups at both the 2and 3 positions and giving each a weight of one-hal(. T he structure has been refined by linked a rom least square methods(LALS) against 16 observed and 21 unobserved reflections. and had a final R value of 0.20. Packing of the side chains is effected by staggering adjacent chains along the b axis by approximately c/2, so that the side chains are interleaved. The phenyl-COO and COO-phenyl torsion angles are -6.1 and 65.6, respectively, such that the main chain phenyls are mutually inclined at 59.5 (the ester groups are assumed to be planar). These torsion angles compare very well with those for the model compounds, notably phenylbenzoate, and can be used in future analyses of the structures of more complex random sequence copolyesters.

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Synthesis and Structure of Bis(ethylenediamine) cuprate(II)$\cdot$Dichromate (Bis(ethylenediamine) cuprate(II)$\cdot$Dichromate의 합성 및 결정구조 연구)

  • Kim, Seung-Bin;Namgung, Hae
    • Korean Journal of Crystallography
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    • v.16 no.1
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    • pp.38-42
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    • 2005
  • The crystal structure of Bis(ethylenediamine) cuprate(II)$\cdot$dichromate, $Cu(C_2H_8N_2)_2{\cdot}Cr_2O_7$, has been determined by X-ray crystallography. Crystal data: a=5.682(2), b=8.567(3), c=14.839(3) ${\AA},\;{\alpha}=97.50(2),\;{\beta}=101.06(1),\;{\gamma}=109.38(2)^{\circ}$ Triclinic, P-1 (SG No=2), Z=2, V=653.9(2) ${\AA}^3,\;D_c=2.030gcm^{-3},\;{\mu}=3.273mm^{-1}$. The structure was solved by Patterson method and refined by full matrix least-square methods uslng unit weights. The final R and S values were $R_1=0.0256,\;R_w=0.0708,\;R_{all}=0.0316,\;S=1.151$ for the observed 2291 reflections. The two cupper complex ion has the usual distorted octahedral structure with mean four Cu-N distances of 2.010(3) $\AA$ and the longer mean Cu-O distance of 2.525(2) $\AA$. The Cu-complex and dichromate ions are linked to form infinite chain arranged alternatively along the [111]-direction. The neighboring chains in the (0-11) plane are connected with N1-O5 and N3-O1 hydrogen bonds.

Molecular Structure of PCP Pincer Complexes: Poisoning Catalyst on the Dehydrogenation of Alkanes (알칸의 탈수소화반응에서의 촉매독 화합물의 분자구조)

  • Lee Ji Hyun;Chun Sang Jin;Kwon Ki Hyeok;Lee Do Weon
    • Korean Journal of Crystallography
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    • v.16 no.1
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    • pp.43-53
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    • 2005
  • The dihydrido P-C-P pincer complex, $IrH_2{C_6H_3-2,6-(CH_2PBu_2^t)_2}$ (1), was successfully prepared from the reaction of the hydrochloride complex, $IrClH (C_6H_3-2,6-(CH_2PBu_2^t)_2}$, and super acid $(LiBEt_3H)$ under 1 atm of hydrogen in pentane solution at room temperature and followed by Heating at $130^{\circ}C$ in vacuo. Jensen recently found that the dihydrido P-C-P pincer complex 1 is a highly active homogeneous catalyst for the transfer dehydrogenation of alkanes with unusual longterm stability at temperatures as high as $200^{\circ}C$. The treatment of dihydrido complex 1 with nitrogen, water, carbon dioxide, and carbon monoxide in presence of tert-butylethylene (the) at room temperature in an appropriate solution gave the dinitrogen complex, $[Ir{C-6H_3-2,6-(CH_2PBu_2^t)_2}]_2({\mu}-N_2)$ (2), the hydrido hydroxyl complex, $IrH(OH){C_6H_3-2,6-(CH_2PBu_2^t)_2}$ (3), the carbon dioxide complex, $Ir({\eta}^2-CO_2) {C_6H_3-2,6-(CH_2PBu_2^t)_2}$ (including the bicarbonate complex, $IrH({\kappa}^2-O_2COH){C_6H_3-2,6-(CH_2PBu_2^t)_2}\;(4))$, and the carbonyl complex, $Ir(CO) {C_6H_3-2,6-(CH_2PBu_2^t)_2}\;(5)$ (including the carboxyl complex, $IrH(C(O)OH) {C_6H_3-2,6-(CH_2PBu_2^t)_2}\;(6))$, in good yield, respectively. These P-C-P iridium complexes were isolated and characterized by $^1H,\;^{13}C,\;^{31}P\; NMR$, and IR spectroscopy. In addition, the complexes (1-6) were characterized by a single crystal X-ray crystallography. These complexes account for these small molecules' inhibition of dehydrogenation of alkanes catalyzed by the dihydrido complex 1.

Space Group $R\={3}c$ = $R\={3}2/c$(167) and the Crystal Structure of Tris(1,2,3,4-tetraphenylbuta-1,3-dienyl)cyclotriphosphazene (Space Group $R\={3}c$(167)과 Tris(1,2,3,4-tetraphenylbuta-1,3-dienyl)cyclotriphosphazene의 結晶構造)

  • Kim, Young-Sang;Ko, Jae-Jung;Kang, Sang-Ook;Lee, Young-Joo;Kang, Eu-Gene;Han, Won-Sik;Park, Young-Soo;Suh, Il-Hwan
    • Korean Journal of Crystallography
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    • v.15 no.1
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    • pp.9-17
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    • 2004
  • There are 25 space groups in the trigonal system. Eighteen out of them have a lattice letter P displaying only hexagonal axes, wherease the remaining seven rhombohedral space groups R3(146), $R\={3}$(148), R32(155), R3m(160), R3c(161), $R\={3}m$(166) and $R\={3}c$(167) are described with two corrdinate systems, first with hexagonal axes having three lattice points (0, 0, 0), (2/3, 1/3, 1/3), (1/3, 2/3, 2/3) and second with primitive rhombohedral axes. In this paper, the space group $R\={3}c$ is discussed and the crystal structure of a compound, tris(1,2,3,4-tetraphenylbuta-1,3-dienyl)cyclotriphosphazene, $C_{84}H_{60}N_3P_3$, belonging to the space group $R\={3}c$ is elucidated with both hexagonal and rhombohedral cells.

In Silico Molecular Docking Comparison of Tubocurarine and the Active Ingredients of Cimicifugae rhizoma on Acetylcholine Binding Proteins (In Silico 분자결합 분석방법을 활용한 tubocurarine과 승마 추출성분 actein의 아세틸콜린 결합 단백질 활성 부위에 대한 결합 친화도 비교 분석)

  • Kim, Dong-Chan
    • Journal of Life Science
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    • v.28 no.4
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    • pp.408-414
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    • 2018
  • Actein is the well-known active ingredient of Cimicifugae rhizoma (Black cohosh). In this study, we investigated and compared the binding affinity of tubocurarine, actein, and actein derivatives on the B&C domain of the acetylcholine binding protein through in silico computational docking studies. The three-dimensional crystallographic structure of the acetylcholine binding protein B&C domain was obtained from the PDB database (PDB ID: 2XYT). An in silico computational autodocking analysis was performed using PyRx, Autodock Vina, Discovery Studio Version 4.5, and NX-QuickPharm based on scoring functions. The actein showed an optimum binding affinity (docking energy), with the acetylcholine binding protein at -10.50 kcal/mol as compared to the tubocurarine (-9.80 kcal/mol). The interacting amino acids tryptophan 84 and tryptophan 147, in the B domain of the acetylcholine binding protein active site, significantly interacted with the actein and 27-deoxyactein, and (26R)-actein. The centroid XYZ grid position of the tubocurarine was X=38.300689, Y=112.053467, and Z=51.991022, but the actein and its derivatives showed values around X=26.4, Y=127.3, Z=43.7. These results clearly indicated that actein and its derivatives could be a more potent antagonist to the acetylcholine binding protein than tubocurarine. Therefore, the extract of Cimicifugae rhizoma or actein containing biomaterials can substitute for the botulinum toxin-mediated acetylcholine receptor regulation, and be applied to the anti-wrinkle cosmetics industry.