• Journal of Korean Vacuum Science & Technology
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• v.6 no.4
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• pp.153-157
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• 2002

The electronic structures of Gd$_{5}$Si$_2$Ge$_2$ compound, which has a giant magnetocaloric effect, in the monoclinic and orthorhombic phases were calculated using the tight-binding linear-muffin-tin-orbital method within the atomic-sphere approximation. The calculated total energies of the monoclinic and orthorhombic structures in the paramagnetic phase confirm that the orthorhombic structure is more stable than monoclinic structure. The density of states (DOS) at the Fermi level of the orthorhombic phase is higher than that of the monoclinic phase in the paramagnetic phase, fulfilling the Stoner criterion. The calculated charge density verified the breaking of Ge(Si)-Ge(Si) bonding in the basal plane upon the orthorhombic-monoclinic phase transition. The DOS curve fairly well reproduces the photoemission spectrum.m.

• Proceedings of the Korean Magnestics Society Conference
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• 2011.06a
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• pp.7-8
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• 2011

Basically, the lattice mismatch between film and substrate can make those BiFeO3(BFO) films distorted with strain structure. BFO phase can be stabilized on LaAlO3(LAO) represents the example of a multiferroic with giant axial ratio. Its crystal structure is not strictly tetragonal, but tetragonal with a slight monoclinic distortion and related to the rotation of the oxygen octahedra. In this study, we show that phases with a tetragonal-like epitaxial BFO films can indeed be ferroelectric and also can be stabilized via epitaxial growth onto LAO. Recent reports on epitaxial BFO films show that the crystal structure changes from nearly rhombohedral ("R-like") to nearly tetragonal("T-like") at strains exceeding approximately -4.5%, with the "T-like" structure being characterized by a highly enhanced c/a ratio. While both the "R-like" and the "T-like" phases are monoclinic, our detailed x-ray diffraction results reveal asymmetry change from MA and MC type, respectively. By applying additional strain or by modifying the unit cell volume of the film by substituting Ba for Bi, the monoclinic distortion in the "T-like" MC phase is reduced, i.e. the system approaches a true tetragonal symmetry. There are two different M-H loops for $Bi_{1-x}Ba_xFeO_{3-{\delta}}$(BBFO) and BFO films on SrTiO3(STO) & LAO substrates. Along with the ferroelectric characterization, these magnetic data indicate that the BFO phase stabilized on LAO represents the first example of a multiferroic with giant axial ratio. However, there is a significant difference between this phase and other predicted ferroelectrics with a giant axial ratio: its crystal structure is not strictly tetragonal, but tetragonal with a slight monoclinic distortion. Therefore, in going from bulk to highly-strained films, a phase sequence of rhombohedral(R)-to-monoclinic ["R-like" MA-to-monoclinic, "T-like" MC-to-tetragonal (T)] is observed. This sequence is otherwise seen only near morphotropic phase boundaries in lead-based solid-solution perovskites (i.e. near a compositionally induced phase instability), where it can be controlled by electric field, temperature, or composition. Our results show that this evolution can occur in a lead-free, stoichiometric material and can be induced by stress alone. Those major results are summarized as follows ; 1) Ba-doping increases the unit cell volume, 2) BBFO on LAO can be fully strained up to x=0.08 as a strain limit (Fig. 1), 3) P(E) & M(H) properties can be tuned by the variation of composition, strain, and film thickness.

• Journal of the Korean Vacuum Society
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• v.2 no.2
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• pp.220-226
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• 1993

An investigation was made of the dependences of the lattice constants and the energy gap on the composition of $TlGa_xIn_{1-x}Se_2$ single cystals grown by Bridgman method. It was found that a discontinuity in $TlGa_xIn_{1-x}Se_2$ solid solutions occurred in the composition range 0.25$0.0{\leq}X{\leq}0.25$) to the monoclinic structure ($0.65{\leq}X{\leq}1.0$) was observed in this composition range. The temperature dependences of the energy gap and the dielectric constant in $TlGaSe_2$ single crystal have shown that the anomalies appeared at 107 K and 120 K corresponding to first-order and second-order phase transitions, respectively.

• 한국정보디스플레이학회:학술대회논문집
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• 2005.07b
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• pp.1568-1571
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• 2005

We have evaluated thermal stability of a $BaAl_2Si_2O_8:Eu^{2+}$ $(BAS:Eu^{2+})$, which have polymorph property such as hexagonal, monoclinic structure depending upon firing temperature. When both polymorph $BAS:Eu^{2+}$ were baked in air at 500 $^{\circ}C$ for 30 min, the photoluminescence (PL) intensity of $monoclinic-BAS:Eu^{2+}$ was maintained of the initial intensity. However, the PL intensity of $hexagonal-BAS:Eu^{2+}$ decreased significantly, corresponding to about 34 %. From analyses of Rietveld refinement, the difference of thermal stability of both $BAS:Eu^{2+}$ can be ascribed to both crystal structure of host materials and the average interatomic distances between $Eu^{2+}$ ion and oxygen their crystal structure which plays a key role of shield for Eu2+ ions against oxidation atmosphere.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.18 no.2
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• pp.62-67
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• 2008

An Organometallic compound, $C_{12}H_{20}B_{10}S_2Co_2$, was synthesized from o-carborane, $Cp^*Co(S_2B_2B_{10}H_{10})$ and $BH_3{\cdot}THF$. The molecular structure of this complex has been determined by X-ray diffraction. Crystallographic data: monoclinic, space group Cc, a=15.981(4) ${\AA}$, b=15.478(17) ${\AA}$, c=12.0562(17) ${\AA}$, ${\beta}=115.063(16)^{\circ}$, Z=4, V=9683(4) ${\AA}^3$. The structure was solved by direct methods and refined by full-matrix leat-squares methods to give a model with a reliability factor R = 0.0630 for 9948 reflections.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.16 no.4
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• pp.272-279
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• 2003

In this work Zn$_4$GeSe$_{6}$ :CO$^{2+}$ single crystals were grown by the chemical transport reaction method in which the iodine was used as the transporting agent. The Zn$_4$GeSe$_{6}$ :CO$^{2+}$ single crystal was found to have a monoclinic structure. The optical absorption spectra of grown crystals were investigated using a temperature-controlled UV-VIS -NIR spectrophotometer. The temperature dependence of band-edge absorption was in a good agreement with the Varshni equation. The observed impurity absorption peaks could be explained as arising from the electron transition between energy levels of Co$^{2+}$ ion sited at the T$_{d}$ symmetry point.

• Bulletin of the Korean Chemical Society
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• v.30 no.11
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• pp.2608-2612
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• 2009

The unequivocal solid-state structure and stereochemistry of the hetaryl leuco-TAM dye, 2,2’-(2-phenyl propane- 1,3-diylidene) bis(1,3,3- trimethylindoline) derivatives were established using X-ray single crystal analysis. The X-ray crystal analysis showed that the (Z, E)-isomers only formed stereoselectively, with a so-called “threebladed propeller” conformation, from the reaction of a Fischer base and benzaldehyde derivatives. These isomers were stacked in a juxtaposition to form a dimer or a double dimer, adopting either a triclinic, with P-1, or monoclinic crystal system with a space group P21/n in the unit cell of the crystal.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2005.07a
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• pp.607-608
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• 2005

In this paper, author describe the undoped and $Co^{2+}$(0.5mole%) doped $Cd_4SnSe_6$ single crystals were grown by the chemical transport reaction(CTR) method. The grown single crystals crystallize in the monoclinic structure of space group Cc and have the direct band gap structure. The energy gaps of them are 1.68 eV for $Cd_4SnSe_6$ and 1.50 eV for $Cd_4SnSe_6:Co^{2+}$ at 300K respectively.

• Journal of the Korean Ceramic Society
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• v.36 no.7
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• pp.762-766
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• 1999

The crystal structure of A2+(Mg1/3Nb2/3)O3,(A2+=Sr2+ and Ca2+)ceramics was studied usig X-ray diffraction (XRD) and high resolution transmission electrion microscopy(HRTEM). Ba(Mg1/3Nb2/3)O3 (SMN) has the 1:2 ordered monoclinic structure which has the anti-phase tilt of octahedra. The type of tilting in SMN was considered to be a$^{\circ}$a$^{\circ}$c- or a­a­c$^{\circ}$ Ca(Mg1/3Nb2/3)O3 (CMN) also has the 1:2 ordered monoclinic structure which was distorted by the anti-phase tilt or in-phsae tilt of octahedra. A unit cell containing both the in-phase tilt axis and anti-phase tilt axis was not observed in the CMN. Therefore CMN has the mixed phase consisting of the 1:2 ordered monoclinic phase with anti-phase tilt of octahedra and the one with in -phase tilt of ocatahedra,. The anti-parallel shift of cation was also observed in the CMN.

• Applied Microscopy
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• v.42 no.3
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• pp.174-178
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• 2012

In the present study, the oxidation behavior of $Cu_{50}Zr_{50}$ and $Cu_{46}Zr_{46}Al_8$ metallic glasses has been investigated using transmission electron microscopy with a particular attention on the oxidation behavior in the supercooled liquid state. Identification of the oxidation product after continuous heating treatment shows that in $Cu_{50}Zr_{50}$ metallic glass, $ZrO_2$ with the monoclinic structure forms on the supercooled liquid as well as on the crystallized matrix. On the contrary, in $Cu_{46}Zr_{46}Al_8$ metallic glass, $ZrO_2$ with the tetragonal structure forms on the supercooled liquid, but that with the monoclinic structure forms on the crystallized matrix. The result indicates that the $Cu_{50}Zr_{50}$ metallic glass exhibits far better oxidation resistance in the supercooled liquid state than the $Cu_{46}Zr_{46}Al_8$ metallic glass.