• Title/Summary/Keyword: orthorhombic

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Structural study of interface layers in orthorhombic-NiSi (010)/Si using density functional theory (Density Functional Theory를 이용한 orthorhombic-NiSi (010)/Si 계면 층의 구조 연구)

  • Kim, Dae-Hee;Kim, De-Hyun;Seo, Hwa-Il;Kim, Yeong-Cheol
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2008.11a
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    • pp.107-108
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    • 2008
  • We calculated orthorhombic-NiSi (010)/Si superstructure. Orthorhombic-NiSi was changed to tetragonal structure to be matched with Si substrate. Eight models were produced by the type of Si substrate. In the case of orthorhombic-NiSi (010)/Si (020)[00-1], it was the most favorable energetically and the shortest of the distance between two superstructures. However, in the case of orthorhombic-NiSi (010)/Si (010)[00-1], it was the most unfavorable energetically and the longest of the distance. The energy and distance of orthorhombic-NiSi (010)/Si superstructure were changed by the coordination number of Ni atom and the bond length of atom-atom at the interface.

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Study of Pd substitution in orthorhombic-NiSi/Si (010) structure: First principles calculation (Orthorhombic-NiSi/Si (010) 구조의 Pd 치환 연구: 제 1 원리 계산)

  • Kim, Dae-Hee;Kim, Dae-Hyun;Seo, Hwa-Il;Kim, Yeong-Cheol
    • Journal of the Semiconductor & Display Technology
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    • v.7 no.4
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    • pp.41-44
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    • 2008
  • NiSi is less stable than the previously-used $CoSi_2$ at high temperature. Some noble metals, such as Pd and Pt, have been added to NiSi to improve its thermal stability. We employed a first principles calculation to understand the Pd segregation at the interface. An orthorhombic structure of NiSi was used to construct an orthorhombic-NiSi/Si (010). Lattice parameters along a- and c-axes in orthorhombic-NiSi were matched with those of Si for epitaxy contact. The optimized $1\times4\times1$ orthorhombic-NiSi (010) and $1\times2\times1$ Si (010) superstructures were put together to construct the orthorhombic-NiSi/Si (010), and the superstructure was relieved in calculation to minimize its total free energy. The optimized interface thickness of the superstructure was $1.59\AA$. Pd atom was substituted in Ni and Si sites located near interface. Both Ni and Si sites located at the interface were favorable for Pd substitution.

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Electronic Structures of Giant Magnetocaloric $Gd_5Si_2Ge_2$ Alloy

  • Rhee, Joo-Yull
    • 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.

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The Specficity of Phase Transitions of Lead Monoxide (산화납의 특이상전이)

  • 김정욱;최성철;이응상
    • Journal of the Korean Ceramic Society
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    • v.30 no.8
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    • pp.623-628
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    • 1993
  • Lead monoxide has two phases at room temperature. One is a yellow orthorhombic phase, the other is a redtetragonal phase. Sometimes two phases are hybrided. The specificity of phase transitions of lead oxide is found during the milling of the batch including lead oxide. The pure orthorhombic phase of PbO can be transformed to the tetragonal phase perfectly by wet ball milling (milling liquid is distilled water) without thermal energy. However, when ethyl alcohol, isopropyl alcohol and aceton are used as milling liquid, respectively, the hybrid form of orthorhombic andtetragonal phases is obtained by wet ball milling. From the hybrid form heat-treated at $600^{\circ}C$ for 3hrs, this work results that mechanical phase transition of orthorhombic phase make a new form as distorted type orthorhombic phase of PbO.

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The "Orthorhombic" Metastable Phase in the System of $NaAlSi_3O_8-CaAl_2Si_2O_8$ ($NaAlSi_3O_8-CaAl_2Si_2O_8$계의 "Immm-강조형" 부안정상)

  • 정수진;임응극;김기수;김영진
    • Journal of the Korean Ceramic Society
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    • v.19 no.1
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    • pp.13-18
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    • 1982
  • The crystallization of metastable "orthorhombic" phase from the glass in the system of Na $AlSi_3O_8-CaAl_2Si_2O_8$ is studied. These crystals are crystallized in the range of composition from $Ab_80An_20$ to An100. The symmetry of these crystals show orthorhombic as a possible space group P22121. Two probable twin models are proposed. proposed.

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Synthesis of orthorhombic $LiMnO_2$ and its electrochemical properties

  • Kim, Jung-Min;Chung, Hoon-Taek
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.15 no.2
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    • pp.51-56
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    • 2005
  • We prepared orthorhombic $LiMnO_2$ by emulsion drying method. The thermo-gravimetric measurement and X-ray diffraction studies indicated that the orthorhombic $LiMnO_2$ phase was formed above $800^{\circ}C$ by oxygen evaporation process from $LiMn_2O_4$ and $Li_2MnO_3$. In this process, we could control the ordering of $LiMnO_2$ with heating rate. It was observed that electrochemical properties depended on the ordering of this material; the ordered one exhibited good capacity retention, whereas the disordered one suffered capacity fading upon cycling, especially in the 3 V region. Transmission electron microscopic (TEM) study showed that this difference is related with difference in the stress relieving effects in the samples.

Crystal structure, microstructure, and low-loss dielectric property of MgO-added (Ca,Sr)(Zr,Ti)O3 (MgO가 첨가된 (Ca,Sr)(Zr,Ti)O3의 결정구조, 미세구조 및 저손실 유전특성)

  • Do-Hyeok Lee;Kyoung-Seok Moon
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.33 no.6
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    • pp.261-267
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    • 2023
  • Crystal structure, microstructure, and dielectric properties of the (Ca, Sr)(Zr, Ti)O3 (CSZT) system has been studied as a function of sintering temperature and MgO addition for microwave applications. A single-phase CSZT powder with the orthorhombic crystal structure was obtained by the solid-state reaction method. The powder compacts were sintered at 1200℃, 1300℃, and 1400℃ respectively. All the sintered samples had a single-phase orthorhombic crystal structure and grain size increased with sintering temperature. In the case of 1 mol% MgO addition, the orthorhombic crystal structure was the main phase; however, a secondary phase appeared during sintering at 1400℃, as determined by EDS analysis. At 1400℃, the undoped and MgO-doped CSZT had almost similar grain size distribution and densification but the grain size distribution became slightly narrow. The MgO-doped CSZT showed excellent low-loss dielectric properties: εr = 34.14, tanδ = 0.00047, τε = -3.58 ppm/℃ at 1 MHz.

Dielectric Properties of Orthorhombic Dysprosium Manganites

  • Wang, Wei Tian
    • Korean Journal of Materials Research
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    • v.29 no.12
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    • pp.753-756
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    • 2019
  • Orthorhombic dysprosium manganite DyMnO3 with single phase is synthesized using solid-state reaction technique and the crystal structure and dielectric properties as functions of temperature and frequency are investigated. Thermally activated dielectric relaxations are shown in the temperature dependence of the complex permittivity, and the respective peaks are found to be shifted to higher temperatures as the measuring frequency increases. In Arrhenius plots, activation energies of 0.32 and 0.24 eV for the high- and low-temperature relaxations are observed, respectively. Analysis of the relationship between the real and imaginary parts of the permittivity and the frequencies allows us to explain the dielectric behavior of DyMnO3 ceramics by the universal dielectric response model. A separation of the intrinsic grain and grain boundary properties is achieved using an equivalent circuit model. The dielectric responses of this circuit are discerned by impedance spectroscopy study. The determined grain and grain boundary effects in the orthorhombic DyMnO3 ceramics are responsible for the observed high- and low-temperature relaxations in the dielectric properties.

superconducting properties of Bi-2223 tapes with various heat treatment condition (열처리 온도 및 분위기 변화에 따른 Bi-2223 초전도 선재에서의 특성변화)

  • 하동우;이동훈;하홍수;오상수;김홍대;양주생;윤진국;최정규;권영길
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2002.07a
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    • pp.527-530
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    • 2002
  • A lot of efforts have been focused on the optimization of PIT parameters for Bi-2223/Ag wire. In this paper, initial annealing of Bi-2223/Ag wire to transform Bi-2212 orthorhombic from Bi-2212 tetragonal Precursor was investigated. This initial annealing step at low oxygen partial pressure were to transform Bi-2212 orthorhombic structure and to reduce the formation of second phases at superconducting wire. However Bi-2223 Phases were appeared at higher annealing temperature. Critical currents(Je) of Bi-2223/Ag tapes were sintered at low oxygen Partial pressure were higher than that of the wires sintered at atmosphere condition. In order to investigate the effect of rolling reduction ratio, Bi-2223/Ag HTS tapes were rolled with different reduction ratio. There were no clear difference of Je and filaments shape with various rolling reduction ratio.

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