• Journal of the Korean Magnetics Society
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• v.15 no.4
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• pp.217-220
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• 2005

The electronic structure and magnetism of Fe chain along the [110] direction on Ag(001) were investigated by using the all-electron full-potential linearized augmented plane wave (FLAPW) method within generalized gradient approximation (GGA). The magnetic moment of Fe atom in Fe chain is calculated to be $3.02\;{\mu}_B$, which is slightly larger than that ($2.99\;{\mu}_B$) of the Fe[110] chain on Cu(001). The reduced coordination number for the Fe chain induced the Fe-d band narrowing and exchange-splitting enhancement, which are responsible for the large magnetic moment of the Fe chain. The calculated band width of the Fe-d band and the exchange-splitting are 1.7 eV and 3.2 eV, respectively.

• Journal of the Korean Institute of Telematics and Electronics
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• v.18 no.5
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• pp.35-45
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• 1981

An asymptotic solution of electromagnetic waves scattered by a right-angled dielectric wedge for plane wave incidence is obtained. Scattered fields are constructed by waves reflected and refracted from dielectric interfaces (geometric-optical fields) and a cylindrical wave diffracted from the edge. The edge diffracted field is obtained by adding a correction to the edge diffraction of physical optics approximation, where the correction field is calculated by solving a dual series equation amenable to simple numerical calculation. Validity of this result is assured by two limits of relative dielectric constant $\varepsilon$ of the wedge. The total asymptotic field calculated results in a Rawlins' Neumann series solution for small $\varepsilon$, and the edge diffraction pattern is shown to approach that of a perfectly conducting wedge for large $\varepsilon$. Calculated field patterns are presented and the accuracy of physical optics approximation is discussed.

• Proceedings of the Korean Magnestics Society Conference
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• 2013.05a
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• pp.19-20
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• 2013

Thermoelectic properties of the typical thermoelectric host materials, the tellurides and selenides, are known to be noticeably changed by their volume change due to the strain [1]. In the bismuth telluride ($Bi_2Te_3$) crystal, a substitution of rare-earth element by replacing one of the Bi atoms may cause the change of the lattice parameters while remaining the rhombohedral structure of the host material. Using the first-principles approach by the precise full potential linearized augmented plane wave (FLAPW) method [2], we investigated the Ce substitution effect on the thermoelectric transport coefficients for the bismuth telluride, employing Boltzmann's equation in a constant relaxation-time approach fed with the FLAPW wave-functions within the rigid band approximation. Depending on the real process of re-arrangement of atoms in the cell to reach the equilibrium state, $CeBiTe_3$ was found to manifest a metal or a narrow bandgap semiconductor. This feature along with the strong correlation effect originated by the 4f states of Ce affect significantly on the thermoelectric properties. We showed that the position of the strongly localized f-states in energy scale (Fig. 1, f-states are shaded) was found to alter critically the transport properties in this material suggesting an opportunity to improve the thermoelectric efficiency by tuning the external strain which may changing the location of the f-sates.

• Proceedings of the KIEE Conference
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• 1986.07a
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• pp.591-594
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• 1986

An asymptotic solution of electro-magnetic waves diffracted by a dielectric wedge of the angle larger than $180^{\circ}$ is obtained in case of the incidence of a E-polarized plane wave. Based on the dual integral equation in the spectral domain, physical optics approximation is supplemented by correction currents distributed along the interfaces. Those currents are expanded in a series of Bessel functions, known as Neumann's expansion of which fractional order is chosen to satisfy the static edge condition as the limiting value of dynamic case. Numerical results of edge diffraction patterns and field patterns are presented for some typical cases.

• Proceedings of the Korean Society for Noise and Vibration Engineering Conference
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• 2014.10a
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• pp.236-239
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• 2014

Most naval underwater weapon system can be simplified to a circular cylindrical structure which has vibrating machineries inside. In order to predict efficiently the total acoustic radiation power of cylindrical structure, surface velocity is measured and radiation efficiency of surface element is calculated. Then, they are substituted to the surface pressure in the simplified Helmholtz integral equation which assumes acoustic far-field and plane-wave approximation at the surface. Surface velocity and total acoustic radiation power for a submerged cylinder are measured in water-tank. In this example, it is found that total acoustic power output obtained from the prediction is in good agreement with that of measurement in mid-high frequency range.

• Journal of the Korean Society for Nondestructive Testing
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• v.36 no.2
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• pp.112-120
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• 2016

The nonlinearity parameter is frequently measured as a sensitive indicator in damaged material characterization or tissue harmonic imaging. Several previous studies have employed the plane wave solution, and ignored the effects of beam diffraction when measuring the non-linearity parameter ${\beta}$. This paper presents a multi-Gaussian beam approach to explicitly derive diffraction corrections for fundamental and second harmonics under quasilinear and paraxial approximation. Their effects on the nonlinearity parameter estimation demonstrate complicated dependence of ${\beta}$ on the transmitter-receiver geometries, frequency, and propagation distance. The diffraction effects on the non-linearity parameter estimation are important even in the nearfield region. Experiments are performed to show that improved ${\beta}$ values can be obtained by considering the diffraction effects.

• Journal of Magnetics
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• v.21 no.1
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• pp.1-5
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• 2016

We investigated the half-metallicity and magnetism at the (001) and (110) surfaces of CsSe in cesium chloride and zinc-blende structures by using the all-electron full-potential linearized augmented plane wave method within the generalized gradient approximation. From the calculated local density of states, we found that all the surfaces preserve the half-metallicity of the bulk structures. The surfaces with a greater polarity have stronger ferromagnetic properties when terminated with Se atoms; the non-polar surfaces do not change their electronic or magnetic properties considerably as compared with the bulk structures.

• Journal of Magnetics
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• v.12 no.3
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• pp.93-96
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• 2007

We investigated the electronic structure and magnetic properties of zinc-blende CrP/SrBi interface by using the all-electron full-potential linearized augmented plane wave method within the generalized gradient approximation. It is found that the half-metallicity is destroyed when the two half-metals are in contact. Magnetic moments of the atoms forming the supercell differ considerably from the respective values obtained for the bulk structures of the two materials. Cr atoms being and not being in contact with Bi atoms have magnetic moment 3.43 and $2.69{\mu}_B$, respectively. Bi atoms lose their majority electrons which results in their negative polarization. Alkaline Sr atoms are very weakly negatively polarized. The spin distribution within the supercell is such that well separated regions of positive and negative polarization are seen, especially around the layer of P atoms being in contact with the layer of Sr atoms.

• Journal of Magnetics
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• v.10 no.1
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• pp.1-4
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• 2005

We investigated the electronic structures and the magnetic properties of Ti-based intermetallic system of CoTi/FeTi/CoTi(110) surface and interface by using the all-electron full potential linearized augmented plane wave (FLAPW) method within the generalized gradient approximation (GGA). The calculated magnetic moments of interface Co and Fe atoms are 0.65 and 0.15 μ/sub B/, respectively. Surface and interface magnetism of CoTi/FeTi/CoTi(110) are discussed using the calculated density of states (DOS) and the spin densities.

• Proceedings of the Korean Vacuum Society Conference
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• 2000.02a
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• pp.142-142
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• 2000

We performed a total energy calculation of clean alumunum surfaces of three low indices based on a density functional theory with a local density approximation, using the Ceperly-Alder exhange correlation parametrized by Perdew and Zunger. Pseudopotentials were generated for Al of which the plane wave cut-off was 15Ry. We used Gaussian broadening of a Fermi level to accelerate the convergence of our calculation with the Gaussian energy smearing parameter of 0.005Ry. First, we determine the lattice constant of the aluminum of an face-centered-cubic structure to be 3.96 which is comparable to the experimental data of 4.05 . The cohesive energy of 4.20eV/atom and the bulk modulus of 0.775$\times$1012dyne/cm2 are also comparable to the experimental values of 3.39eV/atom and 0.772$\times$1012dyne/cm2, respectively. Then we investigated the surface relaxation of (100), (110) and (111) surfaces using a 9-layer slab separated by 6-layer thick vacuum. The results are consistent with the existing experimental results.