• Title/Summary/Keyword: vacancy ordering

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Microstructural Characterizations on $(Na_{1/2}Pr_{1/2})TiO_3$ Ceramics ($(Li_{1/2}Pr_{1/2})TiO_3$ 세라믹의 미세구조 평가)

  • Lee, Hwack-Joo;Ryu, Hyun;Park, Hyun-Min;Cho, Yang-Koo;Nahm, Sahn
    • Applied Microscopy
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    • v.32 no.3
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    • pp.257-263
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    • 2002
  • Microstructural investigations of $(Li_{1/2}Pr_{1/2})TiO_3$ (LPT) complex perovskite compounds were carried out using X-ray diffractometry and transmission electron microscopy. LPT has not only the ordering of A-site cation deficiencies but also has the antiphase and inphase tilting of oxygen octahedron and the antiparallel shift of cations. Both the antiphase boundaries and the ferroelastic domains are present in the microstructure. Spinodal decomposition is found in the microstructure. The measured dielectric properties were ${\varepsilon}_r=84.6,\;Q\;{\Large f}_o=776\;GHz,\;{\tau}_{f}=-233.66ppm/^{\circ}C$.

An Study on the Structure of Maghemite(${\gamma}$-Fe$_2$O$_3$) II -Lattice Energy Computation and Crystal Structure Analysis- (마게마이트(${\gamma}$-Fe$_2$O$_3$)의 구조에 대한 연구II -격자에너지 계산과 결정구조해석-)

  • 신형섭
    • Journal of the Korean Ceramic Society
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    • v.35 no.11
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    • pp.1182-1189
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    • 1998
  • Crystal structure and structural stability of needle-shaped maghemite(${\gamma}$-{{{{ { {Fe }_{2 }O }_{3 } }}) have been studied by the computation and estimation of lattice energies interionic distances and site potentials. The refined struc-tures analyzed with cubic system(space group P4332) and tetragonal system(space group P4332) were used for these computations. The lattice energy of tetragonal system is -143.10eV/molecule. The maghemite structure with tetragonal system is more stable than that with cubic system. The ordering energy of the FE and cation vacancy within the octahedral site the 4b site of the structure with cubic system(space group P4332) is -0.95eV/molecule but this Fe has larger interionic distance and is very unstable.

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First-principle Study for AlxGa1-xP and Mn-doped AlGaP2 Electronic Properties

  • Kang, Byung-Sub;Song, Kie-Moon
    • Journal of Magnetics
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    • v.20 no.4
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    • pp.331-335
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    • 2015
  • The ferromagnetic and electronic structure for the $Al_xGa_{1-x}P$ and Mn-doped $AlGaP_2$ was studied by using the self-consistent full-potential linear muffin-tin orbital method. The lattice parameters of un-doped $Al_xGa_{1-x}P$ (x = 0.25, 0.5, and 0.75) were optimized. The band-structure and the density of states of Mn-doped $AlGaP_2$ with or without the vacancy were investigated in detail. The P-3p states at the Fermi level dominate rather than the other states. Thus a strong interaction between the Mn-3d and P-3p states is formed. The ferromagnetic ordering of dopant Mn with high magnetic moment is induced due to the (Mn-3d)-(P-3p)-(Mn-3d) hybridization, which is attributed by the partially filled P-3p bands. The holes are mediated with keeping their 3d-characters, therefore the ferromagnetic state is stabilized by this double-exchange mechanism.

Effects of Yttria and Calcia Co-Doping on the Electrical Conductivity of Zirconia Ceramics

  • Lee, Jong-Sook;Shin, Dong-Kyu;Choi, Byung-Yun;Jeon, Jung-Kwang;Jin, Sung-Hwan;Jung, Kwon-Hee;An, Pyung-An;Song, Sun-Ju
    • Journal of the Korean Ceramic Society
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    • v.44 no.12
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    • pp.655-659
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    • 2007
  • Zirconia polycrystals co-doped with x mol% CaO and (10-x) mol% $Y_2O_3$ were prepared by solid state reaction method. The compositions were chosen for nominally the same oxygen vacancy concentration of 5 mol%. X-ray diffraction patterns indicated the formation of cubic zirconia by heat treatment at $1600^{\circ}C$. Impedance spectroscopy was applied to deconvolute the bulk and grain boundary response. Electrical conductivity was measured using the complex impedance technique from 516 to 874 K in air. Maximum conductivity was exhibited by the composition with equal amounts of CaO and $Y_2O_3$, which may be ascribed to the smaller degree of defect-interactions in that composition due to the competition of different ordering schemes between the two systems. When compared to the composition containing $Y_2O_3$ only, co-doping of CaO increases the grain boundary resistance considerably. The activation energy of grain and grain boundary conductivity was 1.1 eV and 1.2 eV, respectively, with no appreciable dependence on dopant compositions.