• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2004.07a
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• pp.309-312
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• 2004

The electronic structure of ZnO oxide semiconductor having high optical transparency and good electric conductivity was theoretically investigated by $DV-X_{\alpha}$(the discrete variation $X_{\alpha}$) method, which is a sort of the first principle molecular orbital method using Hatre-Fock-Slater approximation. The electrical and optical properties of ZnO are seriously affected by the addition of impurities. The imnurities are added to ZnO in order to increase the electric conductivity of an electrode without losing optical transparency. In this study, the effect of impurities of III and IV family on the band structure, impurity levels and the density of state of ZnO were investigated. The cluster model used for calculations was $[MZn_{50}O_{53}]^{-2}$(M=elements belonging to III and IV family).

• Bulletin of the Korean Chemical Society
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• v.22 no.9
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• pp.969-974
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• 2001

Model calculations for small molecules Li2, F2, LiF and BF have been performed at the Dirac-Fock level of theory using Dirac-Coulomb and Dirac-Coulomb-Magnetic Hamiltonians with various basis sets. In order to understand what may happen when the relativity becomes significant, the value of c, speed of light, is varied from the true value of 137.036 a.u. to 105 (nonrelativistic case) and also to 50 and 20 a.u. (exaggerated relativistic cases). Qualitative trends are discussed with special emphasis on the effect of the magnetic part of the Breit interaction term. The known relativistic effects on bonding such as the bond length contraction or expansion are demonstrated in this model study. Total energy, $\pi-orbital$ splitting, bond length, bond dissociation energy and dipole moment are calculated, and shown to be modified in a uniform direction by the effect of the magnetic term. Inclusion of the magnetic term raises the total energy, increases the bond length, reduces the $\pi-orbital$ splitting, increases the bond dissociation energy, and mitigates the changes in dipole moment caused by the Dirac term.

• Korean Journal of Metals and Materials
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• v.49 no.9
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• pp.739-745
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• 2011

Beta-type alloys are the most versatile class of titanium alloys. They offer the highest strength to weight ratios and very attractive combinations of strength, toughness, and fatigue resistance inlarge cross sections [1]. The present study was made to obtain useful information for the design of ${\beta}$-type titanium alloys with high-strength properties by using the $DV-X{\alpha}$ method. Employing two calculated parameters, the bond order (Bo) and the d-orbital energy level (Md) of alloying elements in ${\beta}$-type titanium alloy was introduced and used for prediction of mechanical properties. Thus, high-strength titanium alloys were designed by calculating the Md and Bo values of the previous and present titanium alloys.

• Journal of the Korean Vacuum Society
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• v.6 no.S1
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• pp.53-58
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• 1997

It is well known that the equiatomic FeAl alloy crystallizes in a paramagnetic CsCl structure and is very stable in a wide temperature range owing to a significant charge transfer from Al to Fe. A presence of structural defects normally enhances the magnetic and magneto-optical properties of this alloy. In this study spin-resolved photoemission and magnetic circular dichroism (MCD) were carried out on both ordered and disordered $Fe_{0.52}Al_{0.48}$ alloy films. The disordered state in the alloy films was obtained by a vapor quenching deposition on cooled substrates. It is shown that the order-disorder transition in the Fe0.52Al0.48 alloy films leads to a significant change in the spin polarization. Form the MCD results the orbital and spin magnetic moments of the constituent atoms are obtained. According to the sum rule the spin and orbital magnetic moments of Fe in the disordered FeAl film are $\mu\frac{SR}{spin}=0.8\mu_B$ and $\mu\frac{SR}{orb}=0.14\mu_B$ respectively. The spin magnetic moment is also evaluated to be $\mu\frac{BR}{spin}=0.77\mu_B$ by the branching ration method employing a photon polarization of 90%.

• Proceedings of the Korean Magnestics Society Conference
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• 2004.12a
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• pp.4-4
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• 2004

• Journal of Astronomy and Space Sciences
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• v.13 no.1
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• pp.79-89
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• 1996

We calculate the theoretical line profiles for 32 Cyg in order to investigate the influence of various velocity fields. Line profiles are calculated with wind accelerations driven by Alfven waves and described by velocity parameters. The results for Alfvenic wave model show weakened line profiles. For the orbital phases ${\Phi}$=0.78 and ${\Phi}$=0.06 the Alfvenic models show strong absorption part due to very low densities at the surface of the supergiant. Hence, we conclude the velocity gradient of the wind near the supergiant could influence on the theoretical line formation.

• 한국생물공학회:학술대회논문집
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• 2000.11a
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• pp.273-276
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• 2000

Marine fungus, Thraustochytrium aureum ATCC 34034, was incubated in artificial sea water media in order to produce docosahexaenoic acid(DHA). Cultures were performed at $24^{\circ}C$ in light for 13 days with orbital shaker at 100rpm. Maximum cell productivity of 1.34g/L and DHA yield of 41.4 mg/L were obtained by using this method, which is almost the twice level of DHA yield obtained for the strains reported previously. This strain did produce much more DHA after sporangium disruption.

• Journal of Magnetics
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• v.13 no.3
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• pp.85-87
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• 2008

I report a simple method to correct the saturation effect in absorption spectra measured in total electron yield (TEY) mode. It does not require additional measurements of the X-ray penetration depth. In order to check the reliability of the method, X-ray magnetic circular dichroism (XMCD) spectra for polycrystalline Fe were measured at two different incident angles, and then processed with the method. The two resultant XMCD spectra were identical, and their sum rule analysis produced the ratios of orbital magnetic moment to spin magnetic moment, which were very close to the well-known value.

• Journal of Astronomy and Space Sciences
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• v.8 no.2
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• pp.141-148
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• 1991

In order to obtain a complete picture of the time dependent dynamic of 360 fragments in space, the program IODS (ISSA Orbit Determination System) has been set up. Using The program IODS, all fragments orbits of one break-up event can be generated. Perturbations due to the Earth's asymmetrical potential, the Sun, moon, air drag and solar radiation force are considered. We summarize our results as follows : I) Due to J2 term, precessional motion of all fragment orbits are (수식생략) ii) The other perturbations have very small effects.

• Bulletin of the Korean Chemical Society
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• v.32 no.6
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• pp.1980-1984
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• 2011

A temperature- and coverage-dependant quasi-reversible change in two-photon photoemission (2PPE) of chemisorbed 1-phenyl-1-propyne (PP) on Cu(111) is reported. For PP on Cu(111) at 300 K probed at a photon energy of 4.13 eV, two broad peaks of comparable intensity show final state energies of 7.25 and 7.75 eV above the Fermi level. The former peak could be assigned to the first image potential state (IS, n = 1) and/or unoccupied molecular orbital (UMO), located at 3.1 eV above the Fermi level. The latter is plausibly attributed to a mix of unoccupied higher-order IS (and/or UMO) and occupied surface state (SS) of Cu(111). With decreasing the temperature, the former 2PPE peak shows a shift in position by about 0.2 eV, and the latter exhibits a dramatic increase in intensity. In the system, intermolecular interactions (and/or order-disorder transition) of PP and substrate lattice temperature may play a significant role in change in photoexcitation lifetime (or excitation cross-section), and the unoccupied molecular orbital (UMO)-metal (IS) charge transfer coupling. Our unique 2PPE results provide a deeper insight for understanding photoexcitation charge transfer with temperature in an organic molecule/metal system.