• Journal of the Korean Magnetics Society
• /
• v.3 no.1
• /
• pp.1-6
• /
• 1993

Electronic and magnetic proper tis of the rare-earth transition metal compound, $LaCo_{13}$, are investigated by performing self-consistent local density functional LMTO (linearized muffin-tin orbital) band structure calculations for both paramagnetic and ferromagnetic phases of $LaCo_{13}$. The calculated magnetic moments for the two types of Co atoms, Co I and Co II, are 1.34 and $1.65{\mu}_{B}$, respectively. The average magnetic moment of Co atoms in the ferromagnetic phase of $LaCo_{13}$ is estimated to be $1.60{\mu}_{B}$, which is in fairly good agreement with the experimental values, $1.56~1.68{\mu}_{B}$.

• Journal of the Korean Magnetics Society
• /
• v.10 no.3
• /
• pp.139-142
• /
• 2000

We present results based on FLAPW local spin density(LSD) calculations of double perovskite structure oxide L $a_2$MnFe $O_{6}$ . The total energy calculations with various spin structures show that this material has a stable ferromagnetic spin configuration. The ionic state of transition metals depend on the spin configuration $_Mn^{4+}$ and F $e^{2+}$ for ferromagnetic structure, M $n^{3+}$ and F $e^{3+}$ for ferrimagnetic structure). It is explained by super exchange interaction between transition metals. The calculated magnetic structure is well matched with recent experimental result.ult.t.

• Bulletin of the Korean Chemical Society
• /
• v.28 no.12
• /
• pp.2343-2353
• /
• 2007

We report the application of time-dependent density functional theory (TDDFT) to the calculation of potential energy profile relevant to the excited state intramolecular proton transfer (ESIPT) processes in title molecules. The TDDFT single point energy calculations along the reaction path have been performed using the CIS optimized structure in the excited state. In addition to the Stokes shifts, the transition energies including absorption, fluorescence, and 0-0 transition are estimated from the TDDFT potential energy profiles along the proton transfer coordinate. The excited state TDDFT potential energy profile of SA and 3ASA resulted in very flat function of the OH distance in the range ROH = 1.0-1.6 A, in contrast to the relatively deep single minimum function in the ground state. Furthermore, we obtained very shallow double minima in the excited state potential energy profile of SA and 3ASA in contrast to the single minimum observed in the previous work. The change of potential energy profile along the reaction path induced by the substitution of electron donating groups (-NH2 and -OCH3) at different sites has been investigated. Substitution at para position with respect to the phenolic OH group showed strong suppression of excited state proton dislocation compared with unsubstitued SA, while substitution at ortho position hardly affected the shape of the ESIPT curve. The TDDFT results are discussed in comparison with those of CASPT2 method.

• Journal of the Korean Institute of Intelligent Systems
• /
• v.14 no.5
• /
• pp.583-586
• /
• 2004

Transition jitter noise is one of major sources of detection errors in high density recording channels. Implementation complexity of the optimal detector for such channels is high due to the data dependency and correlated nature of the jitter noise. In this paper, two types of hardware efficient sub-optimal detectors are derived by modifying branch metric of Viterbi algorithm and applied to partial response (PR) channels combined with run length limited modulation coding. The additional complexity over the conventional Viterbi algorithm to incorporate the modified branch metric is either a multiplication or an addition for each branch metric in the Viterbi trellis.

• The Journal of Korean Institute of Communications and Information Sciences
• /
• v.29 no.1C
• /
• pp.59-64
• /
• 2004

We propose a new RLL(run length limited) (2,7) PP(parity preserving) code with 4 RMTR(repeated minimum transition run) for optical recording. The proposed code has better characteristics in terms of density ratio, RMTR, DC(direct current) component suppression, BER(bit error rate) and system complexity than (2,1O) code that currently applied in storage systems and (1,7) PP code that highly recommended as the next generation optical recording system. Some characteristics of the code are described with several simulations. And the proposed code's superiorites in performance is illustrated as compared with the other codes.

• Proceedings of the Korean Vacuum Society Conference
• /
• 1999.07a
• /
• pp.172-172
• /
• 1999

Perovskite Manganese Oxide has been intensively investigated since the discovery of the colossal magnetoresistive(CMR) effect. In this paper, we studied the effect of temperature dependence and various doping dependence of rare earth site ions of La0.7-xPrxCa0.3MnO3 series using Ultraviolet Photoelectron spectroscopy(UPS). They show unusual temperature dependent features and the doped rare earth ions seem to affect the electron-phonon coupling strongly. We found clear evidence of metal-insulator transition from the spectral density at the Fermi level. but the transition temperature is lower than that deduced from transport measurements. Also we found that the spectral features change as time goes on implying that the surface of these materials is somewhat unstable in the vacuum. We can conclude from these results that the surface oxygen atoms correlated to the hopping electrons can escape from the material into the vacuum and that the surface state of these material is different from the bulk state.

• Transactions of the Korean Society of Mechanical Engineers B
• /
• v.21 no.4
• /
• pp.509-517
• /
• 1997

Results of flat plate compressible boundary layer calculation, based on discrete formulation of DSMC method, are presented in low Mach number and low Knudsen number range. The free stream is a uniform flow of pure nitrogen at various Mach numbers in low pressures (i.e. rarefied gas). Complete thermal accommodation and diffuse molecular reflections are used as the wall boundary condition, replacing unreal no-slip condition used in continuum calculations. In the discrete formulation of DSMC method, there is no need to use ad hoc assumptions on transport properties like viscosity and thermal conductivity, instead viscosity is calculated from values of other field variables (velocity and shear stress). Also the results are compared with existing self-similar continuum solutions. In all Mach number cases computed, velocity slip is most pronounced in regions near the leading edge where continuum formulation renders the solution singular. As the boundary layer develops further downstream, velocity slips asymptote to values that are between 10 to 20% of the magnitude of free stream velocity. When the free stream number density is reduced, so the gas more rarefied, the velocity slip increases as expected.

• Electrical & Electronic Materials
• /
• v.7 no.1
• /
• pp.32-41
• /
• 1994

In this study, the TSC spectroscopy has been applied to investigate the influence of structural change due to a process of curing reaction on the electrical properties of epoxy composites cured with acid-anhydride. Five TSC peaks appeared in -160-250[.deg.C]: in the low temperature region below glass transition temperature(T$\_$g/), three relaxation mode peaks due to action of side chains, substitution group or terminal groups have been observed, a peak associated with T$\_$g/, appeared in 110[.deg. C] and p peak due to ionic space charges located in 150[.deg.C]. Each peak was separated into elementary peaks by the partial polarization procedure, and the distribution of activation energy and relaxation time were analized to clearify the origin of each peak. Also, overaboundantly added hardener separated a .betha. peak near 10[.deg. C] into two peaks of .betha.$\_$1/(10.deg. C) and .betha.$\_$2/(20.deg. C) according to increasement of forming field, and the separated hardener was oxidated thermally with increasing surrounding temperatures. The expansion of the free volume need in molecular motion and the reduction of the structural packing density through thermal oxidation process increased TSC between .alpha. peak and .betha. peak and decreased T$\_$g/.

• Journal of the Korean institute of surface engineering
• /
• v.29 no.6
• /
• pp.788-796
• /
• 1996

$TiO_2$ films prepared by RF magnetron sputtering, electron beam evaporation, ion assisted deposition (IAD) and sol-gel method are prepared on c-Si substrate and vitreous silica substrate respectively. From the transmission spectra of $TiO_2$ films on vitreous silica substrate in the spectral region from 190 nm to 900 nm, k($\lambda$) of $TiO_2$ is obtained. Using k($\lambda$) in the interband transition region the coefficients of the quantum mechanical dispersion relation of an amorphous $TiO_2$ and hence n($\lambda$) including the optically opaque region of above fundamental transition energy are obtained. The spectroscopic ellipsometry spectra of $TiO_2$ films in the spectral region of 1.5-5.0eV are model analyzed to get the film packing density variation versus i) substrate material, ii) film thickness and iii) film growth technique. The complex refractive index change of these $TiO_2$ films versus water condensation is also studied. Film micro-structures by SE modelling results are compared with those by atomic force microscopy images and X-ray diffraction data.

• Bulletin of the Korean Chemical Society
• /
• v.33 no.11
• /
• pp.3618-3624
• /
• 2012

Photodissociation dynamics of propiolic acid ($HC{\equiv}C-COOH$) at 212 nm in the gas phase was investigated by measuring rotationally resolved laser-induced fluorescence spectra of OH ($^2{\Pi}$) radicals exclusively produced in the ground electronic state. From the spectra, internal energies of OH and total translational energy of products were determined. The electronic transition at 212 nm responsible for OH dissociation was assigned as the ${\pi}_{C{\equiv}C}{\rightarrow}{\pi}^*{_{C=O}}$ transition by time-dependent density functional theory calculations. Potential energy surfaces of both the ground and electronically excited states were obtained employing quantum chemical calculations. It was suggested that the dissociation of OH from propiolic acid excited at 212 nm should take place along the $S_1/T_1$ potential energy surfaces after internal conversion and/or intersystem crossing from the initially populated $S_2$ state based upon the potential energy calculations and model calculations for energy partitioning of the available energy among products.