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Electronic Structure and Bonding in the Ternary Silicide YNiSi3

  • Sung, Gi-Hong;Kang, Dae-Bok
    • Bulletin of the Korean Chemical Society
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    • v.24 no.3
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    • pp.325-333
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    • 2003
  • An analysis of the electronic structure and bonding in the ternary silicide YNiSi₃is made, using extended Huckel tight-binding calculations. The YNiSi₃structure consists of Ni-capped Si₂dimer layers and Si zigzag chains. Significant bonding interactions are present between the silicon atoms in the structure. The oxidation state formalism of $(Y^{3+})(Ni^0)(Si^3)^{3-}$ for YNiSi₃constitutes a good starting point to describe its electronic structure. Si atoms receive electrons from the most electropositive Y in YNiSi₃, and Ni 3d and Si 3p states dominate below the Fermi level. There is an interesting electron balance between the two Si and Ni sublattices. Since the ${\pi}^*$ orbitals in the Si chain and the Ni d and s block levels are almost completely occupied, the charge balance for YNiSi₃can be rewritten as $(Y^{3+})(Ni^{2-})(Si^{2-})(Si-Si)^+$, making the Si₂layers oxidized. These results suggest that the Si zigzag chain contains single bonds and the Si₂double layer possesses single bonds within a dimer with a partial double bond character. Strong Si-Si and Ni-Si bonding interactions are important for giving stability to the structure, while essentially no metal-metal bonding exists at all. The 2D metallic behavior of this compound is due to the Si-Si interaction leading to dispersion of the several Si₂π bands crossing the Fermi level in the plane perpendicular to the crystallographic b axis.

Tribological Behaviour of the Si/SiC and the Si/SiC/Graphite Composites

  • Kim, In-Sub;Shin, Dong-Woo;So, You-Young;Lee, Byung-Ha
    • The Korean Journal of Ceramics
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    • v.3 no.1
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    • pp.47-51
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    • 1997
  • The dense sintered bodies of Si/SiC composite with various Si contents could be fabricated by changing the green density in the forming process. The Si/SiC/graphite composites with various graphite contents could be also fabricated by changing a graphite content in the starting composition. Their mechanical and tribological properties were characterized and wear mechanism was also studided. The hardness and strength of the Si/SiC and the Si/SiC/graphite were decreased with increasing the contents of free Si and graphite, respectively. However, the friction coefficient and specific wear rate had no specific relations to their hardness and strength. Adhesion of free Si was a main factor to determine a wear resistance of the Si/SiC composite. In the case of the Si/SiC/graphite, solid lubricationl and liquid reservoir of the graphite particles played the main role of the reduction of the friction force. In the torque test to estimate the possibility of practical of practical applications, the value of torque between the Al2O3 disk and Si/SiC/graphite disk was 1/6 lower compared with two $Al_2O_3$ disks on the basis of 100,000 cycles.

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$\beta$-SiC Formation Mechanisms in Si Melt-C-SiC System (용융 Si-C-SiC계에서 $\beta$-SiC 생성기구)

  • 서기식;박상환;송휴섭
    • Journal of the Korean Ceramic Society
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    • v.36 no.6
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    • pp.655-661
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    • 1999
  • ${\beta}$-SiC formation mechanism in Si melt-C-SiC system with varying in size of carbon source was investigated. A continuous reaction sintering process using Si melt infiltration method was adopted to control the reaction sintering time effectively. It was found that ${\beta}$-SiC formation mechanism in Si melt-C-SiC system was directly affected by the size of carbon source. In the Si melt-C-SiC system with large carbon source ${\beta}$-SiC formation mechanism could be divided into two stages depending on the reaction sintering time: in early stage of reaction sintering carbon dissolution in Si melt and precipitation of ${\beta}$-SiC was occurred preferentially and then SIC nucleation and growth was controlled by diffusion of carbon throughy the ${\beta}$-SiC layer formed on graphite particle. Furthmore a dissolution rate of graphite particles in Si melt could be accelerated by the infiltration of Si melt through basal plane of graphite crystalline.

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Preparation and Stability of Silyl Adlayers on 2×1-Reconstructed and Modified Si(100) Surfaces (Si(100)-2×1 표면과 개질된 Si(100) 표면 상에서 실릴 (Silyl) 흡착충의 형성과 안정성)

  • Jo, Sam-K.
    • Journal of the Korean Vacuum Society
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    • v.18 no.1
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    • pp.15-23
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    • 2009
  • Saturation-coverage silyl, $-SiH_3(a)$, overlayers were prepared from $Si_2H_6$ adsorption on three comparative surfaces: clean unmodified; D-precovered; and atomically roughened Si(100). Together with its precursor-mediated adsorption behavior, the surface reactivity of $Si_2H_6$ was found to be the highest on the unmodified Si(100)-$2{\times}1$ surface. This was correlated with its dissociative adsorption mechanism, in which both the $H_3Si-SiH_3$ bond scission and the dual surface $Si-SiH_3(a)$ bond formation require a surface dangling bond 'pair'. The unusually high thermal stability of $-SiH_3(a)$ on the unmodified surface was ascribed to a nearly close-packed $-SiH_3(a)$ coverage of ${\sim}0.9$ monolayer and the consequent lack of dangling bonds on the silyl-packed surface.

Mechanical and Electrical Properties of Si-SiC Fabricated Using SiC-C Composite Powders Synthesized by Sol-gel Process (Sol-gel 법으로 합성된 SiC-C 복합분말을 사용하여 제조된 Si-SiC의 기계적 특성 및 전기저항 특성)

  • Youn, Sung Il;Cho, Gyung Sun;Youm, Mi Rae;Lim, Dae Soon;Park, Sang Whan
    • Journal of the Korean Ceramic Society
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    • v.51 no.5
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    • pp.459-465
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    • 2014
  • In this study, Si-SiC composites were fabricated using a Si melt infiltration method using ${\beta}$-SiC/C composite powders synthesized by the carbothermal reduction of $SiO_2-C$ precursors made from a TEOS and a phenol resin. The purity of the synthesized SiC-C composite powders was higher than 99.9993 wt% and the average particle size varied from 4 to $6{\mu}m$ with increasing carbon contents of the $SiO_2-C$ precursors. It was found that the Si-SiC composites fabricated in this study consist of ${\beta}$-SiC and residual Si, without any trace of ${\alpha}$-SiC. The 3-point bending strengths of the fabricated Si-SiC composites were measured and found to be higher than 550 MPa, although the density of the fabricated Si-SiC composite was less than $2.9g/cm^3$. The bending strengths and the densities of the fabricated Si-SiC composites were found to decrease with increasing C/Si mole ratios in the SiC-C composite powders. The specific resistivities of the Si-SiC composites fabricated using the SiC-C composite powders were less than $0.018{\Omega}cm$. With increasing C content in the SiC-C composite powders used for the fabrication of Si-SiC composites, the specific resistivity of the Si-SiC composites was found to slightly increase from 0.0157 to $0.018{\Omega}cm$.

Fabrication and Characteristics of a-SiNx:H Thin Films (a-SiNx:H 박막의 제조 및 특성)

  • Park, Wug-Dong;Kim, Young-Jin;Kim, Ki-Wan
    • Journal of Sensor Science and Technology
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    • v.4 no.2
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    • pp.58-63
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    • 1995
  • The effects of substrate temperature, RF power, and $NH_{3}/SiH_{4}$ gas flow ratio on the dielectric constant and optical bandgap of amorphous silicon nitride (a-SiNx:H) thin films prepared by PECVD method using RF glow discharge decomposition of $SiH_{4}$ and $NH_{3}$ gas mixtures have been studied. The dielectric constant and optical bandgap of a-SiNx:H thin films were greatly exchanged as by increasing substrate temperature, RF power, and $NH_{3}/SiH_{4}$ gas flow ratio. The dielectric constant of a-SiNx:H films was increased and optical bandgap of a-SiNx:H films was decreased as the substrate temperature was increased. When the substrate temperature, RF power, gas pressure, $NH_{3}/SiH_{4}$ gas flow ratio, and thickness were $250^{\circ}C$, 20 W, 500 mTorr, 10 and $1500\;{\AA}$, respectively, the dielectric constant, breakdown field and optical bandgap of a-SiNx:H film were 4.3, 1 MV/cm, and 2.9 eV, respectively.

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Fabrication and Characteristics of a-Si : H Photodiodes for Image Sensor (영상센서를 위한 a-Si : H 광다이오드의 제작 및 특성)

  • Park, Wug-Dong;Kim, Ki-Wan
    • Journal of Sensor Science and Technology
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    • v.2 no.1
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    • pp.29-34
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    • 1993
  • a-Si : H photodiodes for image sensor have been fabricated and characterized. Photosensitivity of a ITO/a-Si : H/Al photodiode without blocking layer was 0.7 under the applied voltage of 5 V and peak spectral sensitivity in visible region was found at 620 nm. Dark current of ITO/a-SiN : H/a-Si : H/p-a-Si : H/Al photodiode was suppressed by hole blocking layer and electron blocking layer at the value of lower than 1.5 pA to the applied voltage of 10 V. Also maximum photosensitivity was about 1 under the applied voltage of 3 V and peak spectral sensitivity was found at 540 nm.

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Low Index Contrast Planar SiON Waveguides Deposited by PECVD (PECVD 법에 의해 제작된 저굴절률 차이 평판 SiON광도파로)

  • Kim, Yong-Tak;Yoon, Seok-Gyu;Yoon, Dae-Ho
    • Journal of the Korean Ceramic Society
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    • v.42 no.3 s.274
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    • pp.178-181
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    • 2005
  • Silicon oxynitride (SiON) layers deposited upon a $SiO_2/Si$ buffer layer placed upon silicon wafers have been obtained by using PECVD from $SiH_4,\;N_2O$, and $N_2$. It can be seen that the refractive index, measured by using a prism coupler, for the SiON films can be varied between 1.4480 and 1.4958 at a wavelength of 1552 nm by changing the process parameters. Optical planar waveguides with a thickness of $6{\mu}m$ and a refractive index contrast ($\Delta$n) of $0.36\% have been deposited. Also, etching experiments were performed using ICP dry etching equipment on thick SiON films grown onto Si substrates covered by a thick $SiO_2$ buffer layer. A polarization maintaining single-mode fiber was used for the input and a microscope objective for the output at $1.55{\mu}m$. As a result, a low index contrast SiON based waveguide is fabricated with easily adjustable refractive index of core layer. It illustrates that the output intensity mode is a waveguiding single-mode.

Low-temperature Epitaxial Growth of a Uniform Polycrystalline Si Film with Large Grains on SiO2 Substrate by Al-assisted Crystal Growth

  • Ahn, Kyung Min;Kang, Seung Mo;Moon, Seon Hong;Kwon, HyukSang;Ahn, Byung Tae
    • Current Photovoltaic Research
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    • v.1 no.2
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    • pp.103-108
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    • 2013
  • Epitaxial growth of a high-quality thin Si film is essential for the application to low-cost thin-film Si solar cells. A polycrystalline Si film was grown on a $SiO_2$ substrate at $450^{\circ}C$ by a Al-assisted crystal growth process. For the purpose, a thin Al layer was deposited on the $SiO_2$ substrate for Al-assisted crystal growth. However, the epitaxial growth of Si film resulted in a rough surface with humps. Then, we introduced a thin amorphous Si seed layer on the Al film to minimize the initial roughness of Si film. With the help of the Si seed layer, the surface of the epitaxial Si film was smooth and the crystallinity of the Si film was much improved. The grain size of the $1.5-{\mu}m$-thick Si film was as large as 1 mm. The Al content in the Si film was 3.7% and the hole concentration was estimated to be $3{\times}10^{17}/cm^3$, which was one order of magnitude higher than desirable value for Si base layer. The results suggest that Al-doped Si layer could be use as a seed layer for additional epitaxial growth of intrinsic or boron-doped Si layer because the Al-doped Si layer has large grains.

Property of Nickel Silicides with 10 nm-thick Ni/Amorphous Silicon Layers using Low Temperature Process (10 nm-Ni 층과 비정질 실리콘층으로 제조된 저온공정 나노급 니켈실리사이드의 물성 변화)

  • Choi, Youngyoun;Park, Jongsung;Song, Ohsung
    • Korean Journal of Metals and Materials
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    • v.47 no.5
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    • pp.322-329
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    • 2009
  • 60 nm- and 20 nm-thick hydrogenated amorphous silicon (a-Si:H) layers were deposited on 200 nm $SiO_2/Si$ substrates using ICP-CVD (inductively coupled plasma chemical vapor deposition). A 10 nm-Ni layer was then deposited by e-beam evaporation. Finally, 10 nm-Ni/60 nm a-Si:H/200 nm-$SiO_2/Si$ and 10 nm-Ni/20 nm a-Si:H/200 nm-$SiO_2/Si$ structures were prepared. The samples were annealed by rapid thermal annealing for 40 seconds at $200{\sim}500^{\circ}C$ to produce $NiSi_x$. The resulting changes in sheet resistance, microstructure, phase, chemical composition and surface roughness were examined. The nickel silicide on a 60 nm a-Si:H substrate showed a low sheet resistance at T (temperatures) >$450^{\circ}C$. The nickel silicide on the 20 nm a-Si:H substrate showed a low sheet resistance at T > $300^{\circ}C$. HRXRD analysis revealed a phase transformation of the nickel silicide on a 60 nm a-Si:H substrate (${\delta}-Ni_2Si{\rightarrow}{\zeta}-Ni_2Si{\rightarrow}(NiSi+{\zeta}-Ni_2Si)$) at annealing temperatures of $300^{\circ}C{\rightarrow}400^{\circ}C{\rightarrow}500^{\circ}C$. The nickel silicide on the 20 nm a-Si:H substrate had a composition of ${\delta}-Ni_2Si$ with no secondary phases. Through FE-SEM and TEM analysis, the nickel silicide layer on the 60 nm a-Si:H substrate showed a 60 nm-thick silicide layer with a columnar shape, which contained both residual a-Si:H and $Ni_2Si$ layers, regardless of annealing temperatures. The nickel silicide on the 20 nm a-Si:H substrate had a uniform thickness of 40 nm with a columnar shape and no residual silicon. SPM analysis shows that the surface roughness was < 1.8 nm regardless of the a-Si:H-thickness. It was confirmed that the low temperature silicide process using a 20 nm a-Si:H substrate is more suitable for thin film transistor (TFT) active layer applications.