• Korean Journal of Mineralogy and Petrology
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• v.33 no.1
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• pp.1-10
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• 2020

The atomic structures of silicate liquids at high pressure provide insights into the transport properties including thermal conductivities or elemental partitioning behavior between rocks and magmas in Earth's interior. Whereas the local electronic structure around silicon may vary with the arrangement of the nearby oxygens, the detailed nature of such relationship remains to be established. Here, we explored the atomic origin of the pressure-induced changes in the electronic structure around silicon by calculating the partial electronic density of states and L₃-edge X-ray absorption spectra of SiO₂ polymorphs. The result showed that the Si PDOS at the conduction band varies with the crystal structure and local atomic environments. Particularly, d-orbital showed the distinct features at 108 and 130 eV upon the changes in the coordination number of Si. Calculated Si XAS spectra showed features due to the s,d-orbitals at the conduction band and varied similarly with those observed in s,d-orbitals upon changes in the crystal structures. The calculated Si XAS spectrum for α-quartz was analogous to the experimental Si XRS spectrum for SiO₂ glass, implying the overall similarities in the local atomic environments around the Si. The edge energies at the center of gravity of XAS spectra were closely related to the Si-O distance, thus showing the systematic changes upon densification. Current results suggest that the Si L_2,3-edge XRS, sensitive probe of the Si-O distance, would be useful in unveiling the densification mechanism of silicate glasses and melts at high pressure.

• Proceedings of the Korean Magnestics Society Conference
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• 2003.06a
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• pp.38-39
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• 2003

• Proceedings of the Materials Research Society of Korea Conference
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• 1997.10a
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• pp.86-86
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• 1997

• Journal of the Korean Ceramic Society
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• v.31 no.7
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• pp.695-702
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• 1994

Current study was undertaken to explain the structural evolution and corresponding changes in the properties of calcium aluminate glasses with the variation of SiO2 doping concentration. Calcium aluminate glasses in the compositional ranges of (100-x)(0.6CaO+0.4Al2O3)+xSiO2(where x=0~60) were fabricated. DTA analysis confirmed an anomalous behavior in glass transition temperature (Tg) with the maximum of 887$^{\circ}C$ and minimum of 859$^{\circ}C$ when x=5 and 50, respectively. densities and refractive indices monotonically decreased with increasing SiO2 content and IR transmitting cutoff shifted to shorter wavelength side when the amount of added SiO2 exceeded 5 mole%. IR fundamental vibration absorption peaks showed the change that NBOs were inclined to SiO4 tetrahedron in the low-silica region and NBO per SiO4 tetrahedra changed from 2 to 0 with increasing silica content. Based on the analysis of IR fundamental vibration absorption peaks, the model of the structural change can be proposed in three step: 1) SiO4 scavenged the NBOs located at AlO4-tetrahedra, which resulted in the increased of Tg values, 2) NBOs located in the main network again with a decrease in Tg, and 3) dominated by the decrease in the relative amount of NBOs in the glass system, where Tg re-increased.

• Korean Journal of Materials Research
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• v.18 no.10
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• pp.521-528
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• 2008

We present the structural, optical, and electrical properties of amorphous silicon suboxide (a-$SiO_x$) films grown on indium tin oxide glass substrates with a radio frequency magnetron technique from a polycrystalline silicon oxide target using ambient Ar. For different substrate-target distances (d = 8 cm and 10 cm), the deposition temperature effects were systematically studied. For d = 8cm, oxygen content in a-$SiO_x$ decreased with dissociation of oxygen onto the silicon oxide matrix; temperature increased due to enlargement of kinetic energy. For d = 10 cm, however, the oxygen content had a minimum between $150^{\circ}\;and\;200^{\circ}$. Using simple optical measurements, we can predict a preferred orientation of liquid crystal molecules on a-$SiO_x$ thin film. At higher oxygen content (x > 1.6), liquid crystal molecules on an inorganic liquid crystal alignment layer of a-$SiO_x$ showed homogeneous alignment; however, in the lower case (x < 1.6), liquid crystals showed homeotropic alignment.

• Analytical Science and Technology
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• v.25 no.1
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• pp.3-6
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• 2012

$xZrO_2-(1-x)SiO_2$ glass precursor with relatively high concentration of zirconium propoxide in metal alkoxide solution was obtained by sol-gel method and then heated at various temperature from 500 to $1,100^{\circ}C$ to investigate the effect of the thermal treatment on the crystalline structure of the glass precursor. Based on X-ray diffraction analysis, the crystalline peak was started to develop at temperature higher than $600^{\circ}C$, and the crystalline phase was considerably increased at $850^{\circ}C$ or higher. With increasing the thermal treatment temperature, the characteristic peaks, such as baddelyite, tetragonal-$ZrO_2$ and zircon, was shown at $35^{\circ}$, $50^{\circ}$ and $60^{\circ}$ of $2{\theta}$.

• Journal of the Mineralogical Society of Korea
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• v.19 no.4 s.50
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• pp.347-353
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• 2006

The atomic-nano scale structures of multi-component aluminosilicate glasses have not been well understood in spite of its implications fur dynamics and generation of magma in the natural system due to lack of suitable spectroscopic and scattering experiments. Here, we report O-17 MAS and isotropic projection of 3QMAS NMR spectra for quaternary Na-Ca silicate glasses $[(CaO)_x(Na_2O)_{1-x}]\;(A1_2O_3)_{0.5}(SiO_2)_6,\;CNAS)$ at 14.1 Tesla where atomic configurations around bridging oxygen (Si-O-Si, Si-O-Al) and non bridging oxygen (Na-O-Si, Ca-O-Si, (Na, Ca)-O-Si) are partially resolved. With increasing Na content, the fraction of Na-O-Si increases while those for bridging oxygens remain constant. The Na/Ca ratio apparently affects the peak widths of bridging oxygen peaks (e.g., Si-O-Si)) and thus the topological entropy as well as chemical shifts of the bridging oxygen peaks, implying that both BOs and NBOs are strongly interacting with network modifying cations The effect of cation field strength on the degree of Al-avoidance was also discussed.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.24 no.5
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• pp.370-373
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• 2011

We investigated the effects of low temperature ($500^{\circ}C$) $O_2$ annealing on the characteristics of hafnium silicate ($HfSi_xO_y$) films deposited on a Si substrate by atomic layer deposition (ALD). We found that the post deposition annealing under oxidizing ambient causes the oxidation of residual Hf metal components, resulting in the improvement of electrical characteristics such as flat band voltage shift (${\Delta}V_{fb}$) by hysteresis without oxide capacitance reduction. We suggest that post deposition annealing under oxidizing ambient is necessary to improve the electrical characteristics of $HfSi_xO_y$ films deposited by ALD.

• Proceedings of the Materials Research Society of Korea Conference
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• 2002.05a
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• pp.149-149
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• 2002

• Proceedings of the Korean Ceranic Society Conference
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• 2003.04a
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• pp.107.2-107
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• 2003