• JSTS:Journal of Semiconductor Technology and Science
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• v.7 no.1
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• pp.56-65
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• 2007

This paper describes physical meanings of various influences of cavity (or pillar) shape and filling factor of dielectric material on band structures in two-dimensional photonic crystals. Influences of circular and rectangular cross-sections of cavity (or pillar) arrays on photonic band structures are considered theoretically, and significant aspects of square and triangular lattices are compared. It is shown that both averaged dielectric constant of the photonic crystal and distribution profile of photon energy play important roles in designing optical properties. For the triangular lattice, especially, it is shown that cavity array with a rectangular cross-section breaks the band structure symmetry. So, we discuss this point from the band structure and address optical properties of lattice with a circular cross-section cavity.

• Bulletin of the Korean Chemical Society
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• v.16 no.2
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• pp.164-168
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• 1995

The band structure of nickel monoxide having a cation defect rock salt structure is calculated by means of the tight-binding extended Huckel method. The calculation is also made for the net charge, the DOS, the COOP, the electron density of the constituent atoms, and the O 1s binding energy shift when one of the adjacent nickel atoms is defected. It is found that the band gap near the Γ direction on the Brillouin zone is about 0.2 eV, and that all of the properties calculated including the electronic structure of the oxygen atom are more effectively affected by the surface defect than the inside one. The core O 1s binding energy shift is calculated by the use of valence potential method and the results are very satisfactory in comparison with the XPS experimental findings.

• Nano
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• v.13 no.12
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• pp.1850138.1-1850138.6
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• 2018

Two-dimensional (2D) or layered materials have a great potential for applications in energy storage, catalysis, optoelectronics and gas separation. Fabricating novel 2D or quasi-2D layered materials composed of relatively abundant and inexpensive atomic species is an important issue for practical usage in industry. Here, we suggest the layer-structured AlOOH (Boehmite) as a promising candidate for such applications. Boehmite is a well-known layer-structured material and a single-layer can be exfoliated from the bulk boehmite by breaking the interlayer hydrogen bonding. We study atomic and electronic band structures of both bulk and single-layer boehmite, and also obtain the single-layer exfoliation energy using first-principles calculations.

• ETRI Journal
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• v.13 no.4
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• pp.25-34
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• 1991

The stability and the electronic structure of $In_0.5$.$Ga_0.5$P-based superlattices are examined through self-consistent ab initio pseudopotential calculations. A chalcopyrite-like structure is found to be the lowest energy state over (001) and (111) monolayer superlattices (MLS). Our calculations indicate that all the ordered structures in bulk form are unstable against phase segregation into binary constituents at T = 0 while for epitaxial growth, the chalcopyrite phase is stabilized. The fundamental band gaps of the ordered structures are found to be direct and smaller than that of disordered alloys. The lowering of the band gap is explainable by band folding and pushing effects. We find the reduction of the band gap to be largest for the (111) MLS.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2004.07a
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• pp.267-270
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• 2004

A silver indium sulfide($AgInS_2$) epilayer was grown by the hot wall epitaxy method, which has not been reported in the literature. The grown $AgInS_2$ epilayer has found to be a chalcopyrite structure and evaluated to be high qualify crystal. From the photocurrent measurement in the temperature range from 30 K to 300 K, the two peaks of A and B were only observed, whereas the three peaks of A, B, and C were seen in the PC spectrum of 10 K. These peaks. are ascribed to the band-to-band transition. The valence band splitting of $AgInS_2$ was investigated by means of the photocurrent measurement. The crystal field splitting, $\ddot{A}cr$, and the spin orbit splitting, $\ddot{A}so$, have been obtained to be 0.150 eV and 0.009 eV at 10 K, respectively. And, the energy band gap at room temperature has been determined to be 1.868 eV. Also, the temperature dependence of the energy band gap, $E_g(T)$, was determined.

• The Transactions of the Korean Institute of Electrical Engineers P
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• v.66 no.4
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• pp.200-205
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• 2017

In this paper, we propose a technique to determine the normal and arc of an alternating current using a mixed filter composed of an average filter and a band-pass filter and a frequency analysis. The proposed method uses the moving average filter of the FIR filter structure for noise removal and the band-pass filter of the IIR filter structure for detecting only specific frequency components after normalizing the measured current signal based on the maximum value. After performing Fast Fourier Transform (FFT) using the band-pass filtered signal, the total energy is calculated using the magnitude component of the frequency, and the arc is detected using the magnitude of the calculated energy. In order to show the validity of the proposed method, we experimented with various data and found that arc and steady state can be easily discriminated by calculating spectral energy. Therefore, it is considered that the proposed method can be applied to arc diagnosis of low voltage electric wire.

• Transactions of the Korean hydrogen and new energy society
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• v.22 no.3
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• pp.349-356
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• 2011

During the process of synthesis of $TiO_2$ powders using a high-speed planetary milling machine, Fe metallic powders were created which could be dissolved in sulfuric acid solution. With adding $NH_4OH$ solution to the $TiO_2$ powder, it was found that the crystal structure of the synthesized powder did not change and the crystal size decreased slightly. However, when the sulfur powder is mixed with $TiO_2$, the crystal structure of the MA powder was changed from anatase into rutile phase and its size decreased significantly which is in the order of nm in diameter. In case of mechanical alloying with $TiO_2$ powder only, the crystal structure of the powder was transformed into rutile phase and its size was greatly reduced into several nm. Because its size becomes fine, the energy band gap of its rutile phase is larger than that of bulk states (3.0eV).

• Journal of the Korean Vacuum Society
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• v.5 no.1
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• pp.14-24
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• 1996

We have investigated atomic and electronic structures of a clean Pd(111) surface using low energy electron diffraction (LEED) and angle-resolved photoemission spectroscopy (ARPES). A typical clean LEED pattern with a 3-fold symmetry has been observed, corresponding to that for an fcc (111) surface. ARPES measurements have been performed along the $\Gamma-M,\Gamma-K,\Gamma-M$TEX> symmetry lines, from which the experimental band structure of Pd(111) has been determined. The experimental band structure and work function of Pd(111) surface are found to agree well with the calculated band structure of bulk Pd and the calculated work function of Pd(111), respectively. However, the peak positions in the experimental band structure are located closer to the Fermi level than in the theoretical band structure by 0.1~0.8 eV, depending on the $\kappa$-points in the Brillouin zone. In additin, the experimental band widths are narrower than the theoretical band widths by about 0.5eV. The effects of the localized surface Pd 4d states and the Coulomb interaction between Pd 4d bulk electrons have been discussed as possible origins of such discrepancies between experiment and theory.

• Journal of the Korean Electrochemical Society
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• v.14 no.3
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• pp.145-151
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• 2011

ZnSe, as a II-VI compound semiconductor which has a wide band gap in the visible region is applicable to the various fields such as laser diode, display and solar cell. By using the electrochemical deposition method, ZnSe thin film was synthesized on the ITO glass substrate. The synthesis of ZnSe grains and their structure having zinc blende shape were verified through the analysis of XRD and SEM. UV spectrophotometric method determined the band gap as the value of 2.76 eV. Applying the DFT (Density Functional Theory) in the molecular dynamics, the band structure of ZnSe grains was analyzed. For ZnSe grains with zinc blende structure, the band structure and its density of state were simulated using LDA (Local Density Approximation), PBE (Perdew Burke Ernzerhof), and B3LYP (Becke, 3-parameter, Lee-Yang-Parr) functionals. Among the calculations of energy band gap upon each functional, the simulated one of 2.65 eV based on the B3LYP functional was mostly near by the experimental measurement.

• Proceedings of the Korean Vacuum Society Conference
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• 2016.02a
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• pp.351.2-351.2
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• 2016

Graphene quantum dots (GQDs) have attracted much attention because of various advantages such as cost-effectiveness of synthesis, low toxicity, and photostability. The origins of photoluminescence (PL) in GQDs were suggested as the intrinsic states for localized sp2 carbon domains and the extrinsic states formed by oxygen-functional groups.[1,2] Nevertheless, it is still unclear to understand the information of electric band structure in GQD. Here, we observed excitation energy induced S-shaped PL behavior. The PL peak energy position shows an S-shaped shift (redshift-blueshift-redshift) as function of the excitation wavelengths. From various samples, we only observed S-shaped PL shift in the GQDs with both luminescent origins of intrinsic and extrinsic states. Therefore, this S-shaped PL shift is related to different weight of intrinsic and extrinsic states in PL spectrum depending on the excitation wavelengths. This would be the key result to understand the electric band structure of the GQDs and its derivatives.