• Journal of the Mineralogical Society of Korea
• /
• v.27 no.1
• /
• pp.1-15
• /
• 2014

Probing the electronic structures of crystalline Mg-silicates at high pressure is essential for understanding the various macroscopic properties of mantle materials in Earth's interior. Quantum chemical calculations based on the density functional theory are used to explore the atomic configuration and electronic structures of Earth materials at high pressure. Here, we calculate the partial density of states (PDOS) and O K-edge energy-loss near-edge structure (ELNES) spectra for $MgSiO_3$ perovskite at 25 GPa and 120 GPa using the WIEN2k program based on the full-potential linearized projected augmented wave (FP-LPAW) method. The calculated PDOS and O K-edge ELNES spectra for $MgSiO_3$ Pv show significant pressure-induced changes in their characteristic spectral features and relative peak intensity. These changes in spectral features of $MgSiO_3$ Pv indicate that the pressure-induced changes in local atomic configuration around O atoms such as Si-O, O-O, and Mg-O length can induce the significant changes on the local electronic structures around O atoms. The result also indicates that the significant changes in O K-edge features can results from the topological densification at constant Si coordination number. This study can provide a unique opportunity to understand the atomistic origins of pressure-induced changes in local electronic structures of crystalline and amorphous $MgSiO_3$ at high pressure more systematically.

• Journal of the Microelectronics and Packaging Society
• /
• v.22 no.3
• /
• pp.45-50
• /
• 2015

The goal of this research is the create novel magnets with no rare-earth contents, with larger energy product by comparison with currently used ferrites. For this purpose we developed nano-sized hard-type/soft-type composite ferrite in which high remanent magnetization (Mr) and high coercivity (Hc). Nano-sized Ba-ferrite, Ni-Zn ferrite and $BaFe_{12}O_{19}/Ni_{0.5}Zn_{0.5}Fe_2O_4$ composite ferrites were prepared by sol-gel combustion method by use of glicine-nitrate and citric acid. Nanocomposite ferrites were calcined at temperature range $700-900^{\circ}C$ for 1h. According to the X-ray diffraction patterns and FT-IR spectra, single phase of NiZn-ferrite and Ba-ferrite were detected and hard/soft nanocomposite ferrite was indicated to the coexistence of the magnetoplumbite-structural $BaFe_{12}O_{19}$ and spinel-structural $Ni_{0.5}Zn_{0.5}Fe_2O_4$ that agreed with the standard JCPDS 10-0325 data. The particle size of nanocomposite turn out to be less than 120 nm. The nanocomposite ferrite shows a single-phase magnetization behavior, implying that the hard magnetic phase and soft magnetic phase were well exchange-coupled. The specific saturation magnetization ($M_s$) of the nanocomposite ferrite is located between hard ($BaFe_{12}O_{19}$) and soft ferrite($Ni_{0.5}Zn_{0.5}Fe_2O_4$). The remanence (Mr) of nanocomposite ferrite is much higher than that of the individual $BaFe_{12}O_{19}$ and $Ni_{0.5}Zn_{0.5}Fe_2O_4$ ferrite, and $(BH)_{max}$ is increased slightly.

• Journal of the Korean institute of surface engineering
• /
• v.29 no.6
• /
• pp.809-815
• /
• 1996

$Y_2O_3$-based metal-insulator-semiconductor (MIS) structure on p-Si(100) has been studied. Films were prepared by UHV reactive ionized cluster beam deposition (r-ICBD) system. The base pressure of the system was about $1 \times 10^{-9}$ -9/ Torr and the process pressure $2 \times 10^{-5}$ Torr in oxygen ambience. Glancing X-ray diffraction(GXRD) and in-situ reflection high energy electron diffracton(RHEED) analyses were performed to investigate the crystallinity of the films. The results show phase change from amorphous state to crystalline one with increasingqr acceleration voltage and substrate temperature. It is also found that the phase transformation from $Y_2O_3$(111)//Si(100) to $Y_2O_3$(110)//Si(100) in growing directions takes place between $500^{\circ}C$ and $700^{\circ}C$. Especially as acceleration voltage is increased, preferentially oriented crystallinity was increased. Finally under the condition of above substrate temperature $700^{\circ}C$ and acceleration voltage 5kV, the $Y_2O_3$films are found to be grown epitaxially in direction of $Y_2O_3$(1l0)//Si(100) by observation of transmission electron microscope(TEM). Capacitance-voltage and current-voltage measurements were conducted to characterize Al/$Y_2O_3$/Si MIS structure with varying acceleration voltage and substrate temperature. Deposited $Y_2O_3$ films of thickness of nearly 300$\AA$ show that the breakdown field increases to 7~8MV /cm at the same conditon of epitaxial growing. These results also coincide with XPS spectra which indicate better stoichiometric characteristic in the condition of better crystalline one. After oxidation the breakdown field increases to 13MV /cm because the MIS structure contains interface silicon oxide of about 30$\AA$. In this case the dielectric constant of only $Y_2O_3$ layer is found to be $\in$15.6. These results have demonstrated the potential of using yttrium oxide for future VLSI/ULSI gate insulator applications.