• Title/Summary/Keyword: Crystal structure and symmetry

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Crystallographic Studies of Dehydrated Zeolite-X Reacting with Rubidium Vapor (루비듐 증기로 처리한 탈수한 제올라이트 X의 결정학적 연구)

  • Han, Young Wook
    • Journal of the Mineralogical Society of Korea
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    • v.6 no.2
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    • pp.116-121
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    • 1993
  • A single crystla of zeolite $Na_{78}Rb_{28}-X$ (approximate composition) was prepared by exposing $Na_{92}-X$ at $350^{\circ}C$ to 0.1 Torr of rubidium vapor, and its structure was determined by single-crystal x-ray diffraction methods in the cubic space group, Fd3, ${\alpha}=25.045(4){\AA}$. The structure was refined to the final error indices $R_1=0.082$ and $R_2=0.084$ with 353 for which I>$3{\sigma}(I)$. Only about 28 of the 92 $Na^+$ ions per unit cell were reduced and only about 14 of the 28 $Na^0$ atoms produced were retained within the zeolite. A $Na_5{^{4+}}$ cluster is present within each sodalite cavity. It is a centered tetrahedron (like $CH_4$) with bond $length=2.80(2){\AA}$ and angle tetrahedral by symmetry, and shows the full symmetry of its site. $T_d$, at the center of the sodalite cavity. Each of the four terminal atoms of the $Na_5{^{4+}}$ cluster bond to three framework oxygens at $2.36(2){\AA}$. At the centers of some double 6-rings are sodium atoms which bridge linearly between $Na_5{^{4+}}$ clusters to form agglomerations such as short zig-zag chains $Na_5{^{4+}}$ clusters. Delocalized electrons, located primarily on the sodiums at centers of the sodalite and (likely) double-six-ring cavities, contribute to the stability of the clusters.

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Optical Properties of Y3Al5O12;Ce3+,Pr3+ Transparent Ceramic Phosphor for High Power White Lighting (고출력 백색 광원용 Y3Al5O12;Ce3+,Pr3+ 투명 세라믹 형광체의 광학특성)

  • Kang, Taewook;Lim, Seokgyu;Kim, Jongsu;Jeong, Yongseok
    • Korean Journal of Materials Research
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    • v.29 no.2
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    • pp.116-120
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    • 2019
  • We prepared $Y_3Al_5O_{12};Ce^{3+},Pr3^{+}$ transparent ceramic phosphor using a solid state reaction method. By XRD pattern analysis and SEM measurement, our phosphors reveal an Ia-3d(230) space group of cubic structure, and the transparent ceramic phosphor has a polycrystal state with some internal cracks and pores. In the Raman scattering measurement with an increasing temperature, lattice vibrations of the transparent ceramic phosphor decrease due to its more perfect crystal structure and symmetry. Thus, low phonon generation is possible at high temperature. Optical properties of the transparent ceramic phosphor have broader excitation spectra due to a large internal reflection. There is a wide emission band from the green to yellow region, and the red color emission between 610 nm and 640 nm is also observed. The red-yellow phosphor optical characteristics enable a high Color Rendering Index (CRI) in combination with blue emitting LED or LD. Due to its good thermal properties of low phonon generation at high temperature and a wide emission range for high CRI characteristics, the transparent ceramic phosphor is shown to be a good candidate for high power solid state white lighting.

Effects of Bi(Mg1/2Sn1/2)O3 Modification on the Dielectric and Piezoelectric Properties of Bi1/2(Na0.8K0.2)1/2TiO3 Ceramics (Bi1/2(Na0.8K0.2)1/2TiO3 세라믹스의 유전 및 압전 특성에 대한 Bi(Mg1/2Sn1/2)O3 변성 효과)

  • Pham, Ky Nam;Dinh, Thi Hinh;Lee, Hyun-Young;Kong, Young-Min;Lee, Jae-Shin
    • Journal of the Korean Ceramic Society
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    • v.49 no.3
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    • pp.266-271
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    • 2012
  • The effect of $Bi(Mg_{1/2}Sn_{1/2})O_3$ (BMS) modification on the crystal structure, ferroelectric and piezoelectric properties of $Bi_{1/2}(Na_{0.8}K_{0.2})_{1/2}TiO_3$ (BNKT) ceramics has been investigated. The BMS-substitution induced a transition from a ferroelectric (FE) tetragonal to a nonpolar pseudocubic phase, leading to degradations in the remnant polarization, coercive field, and piezoelectric coefficient $d_{33}$. However, the electric-field-induced strain was significantly enhanced by the BMS substitution-induced phase transition and reached a highest value of $S_{max}/E_{max}$ = 633 pm/V under an applied electric field of 6 kV/mm when the BMS content reached 6 mol%. The abnormal enhancement in strain was attributed to the field-induced transition of the pseudocubic symmetry to other asymmetrical structure, which was not clarified in this work.

Charge Neutral Quasi-Free-Standing Graphene on 6H-SiC(0001) Surface by Pd Silicidation and Intercalation

  • Song, In-Gyeong;Sin, Ha-Cheol;Park, Jong-Yun;An, Jong-Ryeol
    • Proceedings of the Korean Vacuum Society Conference
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    • 2012.02a
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    • pp.128-128
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    • 2012
  • We investigated the atomic and electronic properties of graphene grown by Pd silicidation and intercalation using LEED, STM, and ARPES. Pd was deposited on the 6H-SiC(0001) surface at RT. The formation of Pd silicide gives rise to breaking of Si-C bonds of the SiC crystal, which enables to release C atoms at low temperature. The C atoms are transformed into graphene from $860^{\circ}C$ according to the LEED patterns as a function of annealing temperature. Even though the graphene spots were observed in the LEED pattern and the Fourier transformed STM images after annealing at $870^{\circ}C$, the topography images showed various superstructures so that graphene is covered with Pd silicide residue. After annealing at $950^{\circ}C$, monolayer graphene was revealed at the surface. The growth of graphene is not limited by surface obstacles such as steps and defects. In addition, we observed that six protrusions consisting of the honeycomb network of graphene has same intensity meaning non-broken AB-symmetry of graphene. The ARPES results in the vicinity of K point showed the non-doped linear ${\pi}$ band structure indicating monolayer graphene decoupled from the SiC substrate electronically. Note that the charge neutrality of graphene grown by Pd silicidation and intercalation was sustained regardless of annealing temperature in contrast with quasi-free- standing graphene induced by H and Au intercalation. Further annealing above $1,000^{\circ}C$ accelerates sublimation of the Pd silicide layer underneath graphene. This results in appearance of the $(6r3x6r3)R30^{\circ}$ structure and dissolution of the ${\pi}$ bands for quasi-free-standing graphene.

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Two Crystal Structures of Dehydrated $Ag^+$ and $Rb^+$ Exchanged Zeolite A, $Ag^{12-x}Rb_{x}-A$, x = 2 and 3 ($Ag^+$ 이온과 $Rb^+$ 이온으로 치환된 제올라이트 A ($Ag^{12-x}Rb_{x}-A$, x = 2 및 3) 를 탈수한 결정구조)

  • Yang Kim;Seong Hwan Song;Duk Soo Kim;Young Wook Han;Dong Kyu Park
    • Journal of the Korean Chemical Society
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    • v.33 no.1
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    • pp.18-24
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    • 1989
  • Two crystal structures of dehydrated $Ag^+$ and $Rb^+$ exchanged zeolite A, stoichiometries of $Ag_{9}Rb_{3}-A$ (a = 12.278(2)${\AA}$) and $Ag_{10}Rb_{2}-A$ (a = 12.286(2)${\AA}$) per unit cell, have been determined by single crystal x-ray diffraction techniques. Their structures were solved and refined in the cubic space group Pm3m at 21(1)$^{\circ}$C. The crystals of $Ag_{10}Rb_{2}-A$ and $Ag_{10}Rb_{2}-A$ were prepared by flow methods using exchanged solution in which mole ratios of AgNO$_3$ and RbNO$_3$ were 1:5 and 1:50, respectively, with the total concentration of 0.05 M. The structures of the dehydrated $Ag_{9}Rb_{3}-A$ and the $Ag_{10}Rb_{2}-A$ were refined to the final error indices, $R_1$ = 0.064 and $R_2$ = 0.060 with 291 reflections, and $R_1$ = 0.063 and $R_2$ = 0.080 with 416 reflections respectively, for which I >3${\sigma}$(I). In both structures, one reduced silver atom per unit cell was found inside the sodalite cavity. It may be present as a hexasilver cluster in 1/6 of the sodalite units or as an isolated Ag atom coordinated to 4 $Ag^+$ ions in each sodalite unit to give $(Ag_5)^{4+}$, symmetry 4 mm. In the structure of dehydrated $Ag_{9}Rb_{3}-A$, 8 $Ag^+$ ions lie on the threefold axis and each is nearly at the center of the 8-rings at the sites of $D_{4h}$ symmetry. In the structure of dehydrated $Ag_{10}Rb_{2}-A$, two crystallographically different eight 6-ring $Ag^+$ ions were found; $7Ag^+$ ions in the (111) planes of their O(3) framework oxygens and one $Ag^+$ ion inside of sodalite cavity. Two crystallographically different 8-ring cations were also found; two $Rb^+$ ions at the centers of the 8-oxygen rings and one $Ag^+$ ion into the large cavity. Both structures indicate that $Rb^+$ ions prefer to occupy the 8-ring sites, while $Ag^+$ ions prefer to occupy the 6-ring sites.

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The Preparation and Magnetic Properties in Ba-ferrite Film (Ba-ferrite 박막의 제조 및 자기적 특성에 관한 연구)

  • Sur, Jung-Chul;Kim, Dae-Sung;Ha, Tae-Yang;Lee, Jae-Gwang
    • Journal of the Korean Magnetics Society
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    • v.13 no.2
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    • pp.64-69
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    • 2003
  • Ba-ferrite thin films were prepared on Si substrate with ${\alpha}$-Fe$_2$O$_3$ underlayer by a pulsed laser deposition system and characterized by X-ray, SEM, Mossbauer spectroscopy and VSM. The appropriate conditions of pulsation in ${\alpha}$-Fe$_2$O$_3$ and Ba-ferrite were the oxygen pressure of 0.1 Torr at a substrate temperature of 400$^{\circ}C$. Ba-ferrite crystals had the forms of ellipsoidal or needle and the grains shaped the more lumps with increasing the film thickness. Mossbauer spectroscopy assured that the direction of atomic spin in Fe ion was not random but had the tendency of arrangement normal to the substrate. The coercive force and squareness of hysteresis were larger in normal than in plane to the substrate but, the magnetic saturation moment was contrary to them. The spin arrangement was strongly affected by ${\alpha}$-Fe$_2$O$_3$ underlayer and the high coercive force and squareness were influenced by this. The crystal structure was conformed to be a Magntoplumbite symmetry with the hexagonal unit cell and the lattice constant of a increased with increasing film thickness, while c decreased

Rietveld Refinement and Crystal Structure of K-Ba Substituted Synthetic Hollandite, ($K_{2x}Ba_{1-x}Cr_2Ti_6O_{16}$) (리트벨트법을 이용한 K-Ba 치환 합성 홀란다이트($K_{2x}Ba_{1-x}Cr_2Ti_6O_{16}$)의 결정구조 연구)

  • 최진범;김태현
    • Journal of the Mineralogical Society of Korea
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    • v.14 no.2
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    • pp.128-136
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    • 2001
  • The K-Ba complete solid solution of 7 synthetic hollandite-type minerals ($K_{2x}$ $Ba_{1-x}$ $Cr_2$/$Ti_{6}$ $O_{16}$ , x=0, 0.1, 0.3, 0.5, 0.7, 0.9, 1.0, respectively) are studied by the X-ray powder diffraction and Rietveld refinement to find structural transformation during substitution of $Ba^{2+}$ by $K^{+}$ in A site of the tunnel structure of hollandite. Rietveld indices indicate that $R_{wp}$ with respect to $R^{exp}$ ($R_{wp}$ $R_{exp}$ ) are in the range of 15.66%/20.90% and 14.74%/l9.37%, $R_{B}$ and S(Goodness of Fitness) are 6.45~8.97%, 1.45~1.63, respectively. Unit cell parameters of synthetic hollandites, space group 14/m, are a=10.1194(2)~10.0599(2)$\AA$, c=2.9572(6)~2.9512(7)$\AA$, and V=302.75~298.66$\AA^{3}$. Rutile formed as an impurity in those with more than 50% K contents in hollandite series. Substitution of Ba by K ion in a tunnel structure results in constant decrease of cell parameters, but is not sufficient enough to change the hollandite structure. Our data indicate that transformation of tetragonal 14/m to lower symmetry of monoclinic 12/m in hollandite structure may at least be affected by other cation substitution in same A site and/or by cation substitution in B site.

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Photoluminescence of Multinary-compound Semiconductor $ZnGaInS_4:Er^{3+}$ Single Crystals (다원화합물 반도체 $ZnGaInS_4:Er^{3+}$ 단결정의 광발광 특성)

  • Kim, Nam-Oh;Kim, Hyung-Gon;Bang, Tae-Hwan;Hyun, Seung-Cheol;Kim, Duck-Tae
    • Proceedings of the KIEE Conference
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    • 2000.07e
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    • pp.35-39
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    • 2000
  • $ZnIn_2S_4$ and $ZnGaInS_4:Er^{3+}$ single crystals crystallized in the rhombohedral (hexagonal) space group $C_{3v}^5(R3m)$, with lattice constants $a=3.852{\AA},\;c=37.215{\AA}$ for $ZnIn_2S_4$, and $a=3.823{\AA}$, and $c=35.975{\AA}$ for $ZnIn_2S_4:Er^{3+}$. The optical absorption measured near the fundamental band edge showed that the optical energy band structure of there compounds had a direct and indirect band gap, the direct and indirect energy gaps are found to be 2.778 and 2.682 eV for $ZnIn_2S_4$, and 2.725 and 2.651eV for $ZnIn_2S_4:Er^{3+}$ at 293 K. The photoluminescence spectra of $ZnIn_2S_4:Er^{3+}$ measured in the wavelength ranges of $500nm{\sim}900nm$ at 10 K. Eight sharp emission peaks due to $Er^{3+}$ ion are observed in the regions of $549.5{\sim}550.0nm,\;661.3{\sim}676.5nm$, and $811.1{\sim}834.1nm$, and $1528.2{\sim}1556.0nm$ in $CdGaInS_4:Er^{3+}$ single crystal. These PL peaks were attributed to the radiative transitions between the split electron energy levels of the $Er^{3+}$ ions occupied at $C_{2v}$, symmetry of the $ZnIn_2S_4$ single crystals host lattice.

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Properties of Green-Emitting CaNb2O6:Tb3+ Thin Films Grown by Radio-Frequency Magnetron Sputtering (라디오파 마그네트론 스퍼터링으로 성장한 녹색 발광 CaNb2O6:Tb3+ 박막의 특성)

  • Seonkyeong Kim;Shinho Cho
    • Korean Journal of Materials Research
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    • v.33 no.10
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    • pp.400-405
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    • 2023
  • Tb3+-doped CaNb2O6 (CaNb2O6:Tb3+) thin films were deposited on quartz substrates at a growth temperature of 300 ℃ using radio-frequency magnetron sputtering. The deposited thin films were annealed at several annealing temperatures for 20 min and characterized for their structural, morphological, and luminescent properties. The experimental results showed that the annealing temperature had a significant effect on the properties of the CaNb2O6:Tb3+ thin films. The crystalline structure of the as-grown CaNb2O6:Tb3+ thin films transformed from amorphous to crystalline after annealing at temperatures greater than or equal to 700 ℃. The emission spectra of the thin films under excitation at 251 nm exhibited a dominant emission band at 546 nm arising from the 5D47F5 magnetic dipole transition of Tb3+ and three weak emission bands at 489, 586, and 620 nm, respectively. The intensity of the 5D47F5 (546 nm) magnetic dipole transition was greater than that of the 5D47F6 (489 nm) electrical dipole transition, indicating that the Tb3+ ions in the host crystal were located at sites with inversion symmetry. The average transmittance at wavelengths of 370~1,100 nm decreased from 86.8 % at 700 ℃ to 80.5 % at an annealing temperature of 1,000 ℃, and a red shift was observed in the bandgap energy with increasing annealing temperature. These results suggest that the annealing temperature plays a crucial role in developing green light-emitting CaNb2O6:Tb3+ thin films for application in electroluminescent displays.

Fabrication of Stack-Structured Gas Sensor of LaCrxCo1-xO3/Li1.3Al0.3Ti1.7(PO4)3 and Its NOx Sensing Properties (LaCrxCo1-xO3/Li1.3Al0.3Ti1.7(PO4)3의 적층구조를 가지는 가스센서 제조와 그의 NOx 검지특성)

  • Lee, Young-Sung;Shimizu, Y.;Song, Jeong-Hwan
    • Korean Journal of Materials Research
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    • v.25 no.8
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    • pp.423-428
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    • 2015
  • Impedancemetric $NO_x$ (NO and $NO_2$) gas sensors were designed with a stacked-layer structure and fabricated using $LaCr_xCo_{1-x}O_3$ (x = 0, 0.2, 0.5, 0.8 and 1) as the receptor material and $Li_{1.3}Al_{0.3}Ti_{1.7}(PO_4)_3$ plates as the solid-electrolyte transducer material. The $LaCr_xCo_{1-x}O_3$ layers were prepared with a polymeric precursor method that used ethylene glycol as the solvent, acetyl acetone as the chelating agent, and polyvinylpyrrolidone as the polymer additive. The effects of the Co concentration on the structural, morphological, and $NO_x$ sensing properties of the $LaCr_xCo_{1-x}O_3$ powders were investigated with powder X-ray diffraction, field emission scanning electron microscopy, and its response to 20~250 ppm of $NO_x$ at $400^{\circ}C$ (for 1 kHz and 0.5 V), respectively. When the as-prepared precursors were calcined at $700^{\circ}C$, only a single phase was detected, which corresponded to a perovskite-type structure. The XRD results showed that as the Co concentration of the $LaCr_xCo_{1-x}O_3$powders increased, the crystal structure was transformed from an orthorhombic phase to a rhombohedral phase. Moreover, the $LaCr_xCo_{1-x}O_3$ powders with $0{\leq}x<0.8$ had a rhombohedral symmetry. The size of the particles in the $LaCr_xCo_{1-x}O_3$powders increased from 0.1 to $0.5{\mu}m$ as the Co concentration increased. The sensing performance of the stack-structured $LaCr_xCo_{1-x}O_3/Li_{1.3}Al_{0.3}Ti_{1.7}(PO_4)_3$ sensors was found to divide the impedance component between the resistance and capacitance. The response of these sensors to NO gas was more sensitive than that to $NO_2$ gas. Compared to other impedancemetric sensors, the $LaCr_{0.8}Co_{0.2}O_3/Li_{1.3}Al_{0.3}Ti_{1.7}(PO_4)_3$ sensor exhibited good reversibility and reliable sensingresponse properties for $NO_x$ gases.