• Title/Summary/Keyword: Crystal structure and symmetry

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Optical Properties of Undoped and Doped$Zn_4SnSe_6$Single Crystals ($Zn_4SnSe_6$$Zn_4SnSe_6:Co^{2+}$단결정의 광학적 특성연구)

  • 이기형;김덕태;박광호;현승철;김형곤;김남오
    • The Transactions of the Korean Institute of Electrical Engineers C
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    • v.52 no.1
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    • pp.1-5
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    • 2003
  • Zn$_4$SnSe$_{6}$ and Zn$_4$SnSe$_{6}$ :Co$^{2+}$ single crystals were by the chemical transport reaction method. They crystallized in the monoclinic structure. The direct energy band gaps of the Zn$_4$SnSe$_{6}$ and Zn$_4$SnSe$_{6}$ :Co$^{2+}$single crystals at 289k were found to be 2.146eV and 2.042eV. Optical absorption due to impurity in the Zn$_4$SnSe$_{6}$ :Co$^{2+}$single crystal was observed and described as originating from the electron transition between energy levels of Co$^{2+}$ion sited at T$_{d}$ symmetry point.y point.

Optical properties and thermodynamic function properties of undoped and Co-doped $Zn_{0.5}Cd_{0.5}Al_{2}Se_{4}$ Single Crystals ($Zn_{0.5}Cd_{0.5}Al_{2}Se_{4}$$Zn_{0.5}Cd_{0.5}Al_{2}Se_{4}:Co^{2+}$ 단결정의 광학적 특성과 열역학 함수 추정)

  • Hyun, Seung-Cheol;Kim, Hyung-Gon;Kim, Duck-Tae;Park, Kwang-Ho;Park, Hyun;Oh, Seok-Kyun
    • Proceedings of the KIEE Conference
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    • 2002.06a
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    • pp.88-93
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    • 2002
  • $Zn_{0.5}Cd_{0.5}Al_{2}Se_{4}$ and $Zn_{0.5}Cd_{0.5}Al_{2}Se_{4}:Co^{2+}$ + single crystals were grown by CTR method. The grown single crystals have defect chalcopyrite structure with lattice constant a= 5.5966A. c= 10.8042${{\AA}}$ for the pure. a= 5.6543${{\AA}}$. c= 10.8205${{\AA}}$ for the Co-doped single crystal. respectively. The optical energy band gap was given as indirect band gap. The optical energy band gap was decreased according to add of Co-impurity. Temperature dependence of optical energy band gap was fitted well to the Varshni equation. From this relation. we can deduced the entropy. enthalpy and heat capacity. Also. we can observed the Co-impurity optical absorption peaks assigned to the $Co^{2+}$ ion sited at the $T_d$ symmetry lattice and we consider that they were attributed to the electron transitions between energy levels of ions.

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Constitutive Modeling of Magnesium Alloy Sheets (마그네슘 합금 판재의 비선형 항복.경화거동 모델링)

  • Lee, M.G.;Wagoner, R.H.;Lee, J.K.;Chung, K.;Kim, H.Y.
    • Proceedings of the Korean Society for Technology of Plasticity Conference
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    • 2007.05a
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    • pp.298-301
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    • 2007
  • Magnesium alloy sheets have unique mechanical properties such as high in-plane anisotropy/asymmetry of yield stress and hardening response. The unusual mechanical behavior of magnesium alloys has been understood by the limited symmetry crystal structure of HCP metals or by deformation twinning. In the present study, the continuum plasticity models considering the unusual plastic behavior of magnesium alloy sheet were derived for a finite element analysis. A new hardening law based on two-surface model was developed to consider the general stress-strain response of metal sheets such as Bauschinger effect, transient behavior and the unusual asymmetry. Three deformation modes observed during the continuous tension/compression tests were mathematically formulated with simplified relations between the state of deformation and their histories. In terms of the anisotropy and asymmetry of the initial yield stress, the Drucker-Prager's pressure dependent yield surface was modified to include the anisotropy of magnesium alloys.

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The Crystal Structure of Sulfisomidine (설피소미딘의 결정구조)

  • Jeong, Jong-Sun;Jo, Seong-Il;Jeong, Yong-Je
    • Korean Journal of Crystallography
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    • v.2 no.2
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    • pp.22-27
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    • 1991
  • 4-Amino-n-(2,6-dimethyk4-pyrimidnyl) benzenesulfonamide, C12H14N402. Unit cell parameters are a =12.626, b=11.262, c=9.375, a:b:r=90°, V =1333.07h3, D,at=1.390 g /cm3, and λ(Cu-Ka)=1.5418, The space group is Pca21, Orthorhombic. The final R factor of 1068 unique observed reflections is R=0.040. Two pair of molecules which related by symmetry operation has strong hydrogen bond. One is between H(N2) and N(3), and the other is H(NIA) and 0(1).

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Orientation States of Ferroelectric Domains and {111} Twins in $BaTiO_3$ ($BaTiO_3$의 {111}쌍정계면과 강유전 분역의 배향성)

  • 박봉모;정수진
    • Journal of the Korean Ceramic Society
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    • v.33 no.2
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    • pp.228-234
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    • 1996
  • It is very important to understand the domain structures of ferroelectric BaTiO3 in the poling process. Especially because {111} twinning is frequently observed in most BaTiO3 ceramics it is required to know the relations between the ferroelectric domains and the structural twin. In this study the domain structures of a {111} twinned crystal sample were observed under a polarizing microscope. and the relation between the {111} twin and the domain configurations could be classified into two types of 'V'-shape and linear shape penetrating perpendicular to the twin boundary. Domain formation obeys the symmetry of the {111} twining when a new domain structure is developed by heat treatment and surface deformation due to domain formation is also occured symmetrically between the both sides of the{111} twin boundary. This symmetrical behavior of the domains could be interpreted with the "head-to-tall" orientation of the domains across the {111} twin boundary.

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Optical Properties and Thermodynamic Function Properties of Undoped and Co-Doped $Zn_{0.5}Cd_{0.5}Al_{2}Se_{4}$ Single Crystals ($Zn_{0.5}Cd_{0.5}Al_{2}Se_{4}$$Zn_{0.5}Cd_{0.5}Al_{2}Se_{4}$:$Co^{2+}$ 단결정의 광학적 특성과 열역학 함수 추정)

  • Hyun, Seung-Cheol;Park, Hjung;Park, Kwang-Ho;Oh, Seok-Kyun;Kim, Hyung-Gon;Kim, Nam-Oh
    • The Transactions of the Korean Institute of Electrical Engineers C
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    • v.52 no.7
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    • pp.275-281
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    • 2003
  • $Zn_{0.5}Cd_{0.5}Al_{2}Se_{4}$ and $Zn_{0.5}Cd_{0.5}Al_{2}Se_{4}$:$Co^{2+}$ single crystals were grown by CTR method. The grown single crystals have defect chalcopyrite structure with lattice constant a=5.5966$\AA$, c=10.8042$\AA$ for the pure, a=5.6543$\AA$, c=10.8205$\AA$ for the Co-doped single crystal, respectively. The optical energy band gap was given as indirect band gap. The optical energy band gap was decreased according to add of Co-impurity Temperature dependence of optical energy band gap was fitted well to the Varshni equation. From this relation, we can deduced the entropy, enthalpy and heat capacity. Also, we can observed the Co-impurity optical absorption peaks assigned to the $Co^{2+}$ ion sited at the $T_{d}$ symmetry lattice and we consider that they were attributed to the electron transitions between energy levels of ions.

Kr Atoms and Their Chlustering in Zeolite A

  • Im, U Taek;Jang, Jang Hwan;Jeong, Gi Jin;Heo, Nam Ho
    • Bulletin of the Korean Chemical Society
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    • v.22 no.9
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    • pp.1023-1029
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    • 2001
  • The positions of Kr atoms encapsulated in the molecular-dimensioned cavities of fully dehydrated zeolite A of unit-cell composition Cs3Na8HSi12Al12O48 (Cs3-A) have been determined. Cs3-A was exposed to 1025 atm of krypton gas at 400 $^{\circ}C$ for four days, followed by cooling at pressure to encapsulate Kr atoms. The resulting crystal structure of Cs3-A(6Kr) (a = $12.247(2)\AA$, R1 = 0.078, and R2 = 0.085) has been determined by single-crystal X-ray diffraction techniques in the cubic space group Pm3m at $21(1)^{\circ}C$ and 1 atm. In the crystal structure of Cs3-A(6Kr), six Kr atoms per unit cell are distributed over three crystallographically distinct positions: each unit cell contains one Kr atom at Kr(1) on a threefold axis in the sodalite unit, three at Kr(2) opposite four-rings in the large cavity, and two at Kr(3) on threefold axes in the large cavity. Relatively strong interactions of Kr atoms at Kr(1) and Kr(3) with Na+ ions of six-rings are observed: Na-Kr(1) = 3.6(1) $\AA$ and Na-Kr(3) = $3.08(5)\AA.$ In each sodalite unit, one Kr atom at Kr(1) was displaced $0.74\AA$ from the center of the sodalite unit toward a Na+ ion, where it can be polarized by the electrostatic field of the zeolite, avoiding the center of the sodalite unit which by symmetry has no electrostatic field. In each large cavity, five Kr atoms were found, forming a trigonal-bipyramid arrangement with three Kr(2) atoms at equatorial positions and two Kr(3) atoms at axial positions. With various reasonable distances and angles, the existence of Kr5 cluster was proposed (Kr(2)-Kr(3) = $4.78(6)\AA$ and Kr(2)-Kr(2) = $5.94(7)\AA$, Kr(2)-Kr(3)-Kr(2) = 76.9(3), Kr(3)-Kr(2)-Kr(3) = 88(1), and Kr(2)-Kr(2)-Kr(2) = $60^{\circ}).$ These arrangements of the encapsulated Kr atoms in the large cavity are stabilized by alternating dipoles induced on Kr(2) by four-ring oxygens and Kr(3) by six-ring Na+ ions, respectively.

Dislocations as native nanostructures - electronic properties

  • Reiche, Manfred;Kittler, Martin;Uebensee, Hartmut;Pippel, Eckhard;Hopfe, Sigrid
    • Advances in nano research
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    • v.2 no.1
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    • pp.1-14
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    • 2014
  • Dislocations are basic crystal defects and represent one-dimensional native nanostructures embedded in a perfect crystalline matrix. Their structure is predefined by crystal symmetry. Two-dimensional, self-organized arrays of such nanostructures are realized reproducibly using specific preparation conditions (semiconductor wafer direct bonding). This technique allows separating dislocations up to a few hundred nanometers which enables electrical measurements of only a few, or, in the ideal case, of an individual dislocation. Electrical properties of dislocations in silicon were measured using MOSFETs as test structures. It is shown that an increase of the drain current results for nMOSFETs which is caused by a high concentration of electrons on dislocations in p-type material. The number of electrons on a dislocation is estimated from device simulations. This leads to the conclusion that metallic-like conduction exists along dislocations in this material caused by a one-dimensional carrier confinement. On the other hand, measurements of pMOSFETs prepared in n-type silicon proved the dominant transport of holes along dislocations. The experimentally measured increase of the drain current, however, is here not only caused by an higher hole concentration on these defects but also by an increasing hole mobility along dislocations. All the data proved for the first time the ambipolar behavior of dislocations in silicon. Dislocations in p-type Si form efficient one-dimensional channels for electrons, while dislocations in n-type material cause one-dimensional channels for holes.

The Crystal and Molecular Structure of Fluocinolone Acetorlide $(C_{24}H_{30}F_2O_8)$ (FloucinoloneAcetonide의 결정 및 분자구조)

  • Jeong, Jong-Sun;Jo, Seong-Il;Jeong, Yong-Je
    • Korean Journal of Crystallography
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    • v.3 no.1
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    • pp.31-36
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    • 1992
  • 6, 9-Difluoro-11, 21-dihydroxyl-16, 17-[(1methylehtylidene)bis(oxy)]-pregna-1, 4-diene-3, 20-dione (fluorocinolone acetonide) , C24H3OF106, trigonal, R3 (defined as a hexagonal lattice), a =b = 17.896 k, c: 18.365 k, V=5094.3 A', Z=9, 1 (MoK a) =0.7107 A, D=1.31 g/cm3, D.: 1.328 g/cm3 T=298 K, final R=0.050 for 1101 unique observed reflections. The molecule has conformational features in common with other corticosteroids. Three molecules related by 3-fold symmetry are involved in hydrogen bonding, forming a layer of molecules perpendicular to the c-axis.

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The Crystal and Molecular Structure of Dipropargyldiphenylmethane (디프로파질디페닐메탄의 결정 및 분자구조)

  • Ahn Choong Tai;Choi Sam-Kwon
    • Journal of the Korean Chemical Society
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    • v.37 no.5
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    • pp.473-476
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    • 1993
  • Dipropargyldiphenylmetane, $C_{19}H_{16}, crystallizes in a monoclinic space group $C2/_c$$ with a = 11304(3), b = 20.799(5), c = 6.622(2)${\AA}$, ${\beta} = 112.8(3)^{\circ}$, Z = 4, V = 1435.3${\AA}^3,\;F(000)\;=\;520,\;D_c\;=\;1.14g{\cdot}cm^{-3}$ and ${\mu}\;=\;0.32\;cm^{-1}$. The structure was solved by direct methods and all non-H atoms were identified in the E-map. The final refinement gave R = 0.055 from 1328 unique observed reflections with I $\geq$ -1.0 $\sigma(I).$ The molecule belongs to the point group $C_2$ of Symmetry by possessing the 2-fold axis which coincides witeh the crystallographic symmetry axis in the unit cell. The linear propargyl moiety is nearly $perpendicular(94.2)^{\circ}$ to the molecular plane of the benzene ring. The internal angle of methane carbon atoms in $108.1(1)^{\circ}$, bonding to the benzene and the propargyl moiety with the bond lengths of 1.530(2) and $1.560(2)\AA$, respectively. The shortest contant between the molecules is $3.538(2)\AA$ between C(9) and C(9) (-x, y, -1/2-z).

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