• Journal of Korean Medical classics
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• v.30 no.2
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• pp.1-10
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• 2017

Objectives : In studying East Asia's medical classics, what must first be done before evaluating the validities of clinical grounds is the discernment of the techniques that are based on universal principles from the statements that arise from individual experience. The purpose of this paper is to discover a method of discerning the statements of individual experiences and the descriptions of universal principles. Ingredients and Methods : The paper investigates how each individual clinical experience was introduced in ancient medical classics such as Huangdineijing, Nanjing, Shanghanlun, Jinkuiyaolue, and Maijing, in the books that belong to Yian such as Canggongliechuan, Linzhengzhinanyian, Gujinyianan, and Xumingyileian, and in Korean ancient medical texts such as Eonhae-gugeubbang and Gugeubganibang-eonhae. Results : Books of precriptions and scriptures of medicine were found to include individual experiences. Furthermore, this paper's effort has revealed that the evaluation of the quality of a testimony in an ancient book must be preceded by discerning whether the said testimony is a mere personal testimony or a testimony based on the universal law of causality. Conclusions : Before conducting a clinical research of a precription contained in an East Asian medical classic, the text should first be evaluated to determine whether the prescription in question derives from clinical tests or not.

• Journal of Magnetics
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• v.13 no.4
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• pp.124-127
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• 2008

The magnetic and electronic properties of Ni impurity in bcc Fe ($Ni_1Fe_{26}$) are investigated using the full potential linearized augmented plane wave (FLAPW) method based the generalized gradient approximation (GGA). We found that the Ni impurity in bcc Fe increases both the lattice constant and the magnetic moment of bcc Fe. The calculated equilibrium lattice constant of $Ni_1Fe_{26}$ in the ferromagnetic state was 2.84 A, which is slightly larger than that of bcc Fe (2.83 ${\AA}$). The averaged magnetic moment per atom of $Ni_1Fe_{26}$ unit cell was calculated to be $2.24{\mu}_B$, which is greater than that of bcc Fe (2.17 ${\mu}_B$). The enhancement of magnetic moment of $Ni_1Fe_{26}$ is mainly contributed by the nearest neighbor Fe atom of Ni, i.e., Fe1, and this can be explained by the spin flip of Fe1 d states. The density of states shows that Ni impurity forms a virtual bound state (VBS), which is contributed by Ni $e_{g{\downarrow}}$ states. We suggest that the VBS caused by the Ni impurity is responsible for the spin flip of Fe1 d states.

• Journal of Magnetics
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• v.13 no.4
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• pp.115-119
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• 2008

The authors predicted that $Co_2HfSi$, a $Co_2$-based full Heusler alloy, is being a half-metallic ferromagnet by first-principles calculations using the all electron full-potential linearized augmented plane wave method which adopts the generalized gradient approximation. The integer value of the calculated total magnetic moment of 2.00 ${\mu}_B$ per formula unit and a spin gap of 0.69 eV in spin down state confirmed the half-metallicity of bulk $Co_2HfSi$. For the $Co_2HfSi$(001) surface, we considered two possible surface terminations, namely, Co terminated and HfSi terminated surfaces. It was found that half-metallicity was retained at the HfSi-terminated surface but not at the Co-terminated surface. The magnetic moment of surface Co atoms in the Co-terminated surface was slightly lower than that of Co atoms in deep inner-layers, whereas the magnetic moments of Hf and Si atoms at the HfSi-terminated surface were almost same as those in deep inner-layers.

• Journal of Magnetics
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• v.21 no.1
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• pp.6-11
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• 2016

The magnetic anisotropy energy (MAE) and the saturation magnetization $B_s$ of (110) $Fe_nCo_n$ heterostructures with n = 1, 2, and 3 are investigated in first-principles within the density functional theory by using the precise full-potential linearized augmented plane wave (FLAPW) method. We compare the results employing two different exchange correlation potentials, that is, the local density approximation (LDA) and the generalized gradient approximation (GGA), and include the spin-orbit coupling interaction of the valence states in the second variational way. The MAE is found to be enhanced significantly compared to those of bulk Fe and Co and the magnetic easy axis is in-plane in agreement with experiment. Also the MAE exhibits the in-plane angle dependence with a two-fold anisotropy showing that the $[1{\overline{I}}0]$ direction is the most favored spin direction. We found that as the periodicity increases, (i) the saturation magnetization $B_s$ decreases due to the reduced magnetic moment of Fe far from the interface, (ii) the strength of in-plane preference of spin direction increases yielding enhancement of MAE, and (iii) the volume anisotropy coefficient decreases because the volume increase outdo the MAE enhancement.

• Journal of Magnetics
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• v.16 no.2
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• pp.161-163
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• 2011

We report results of first principles calculations for effects of an external electric field (E-field) on the magnetocrystalline anisotropy (MCA) in transition-metal (Fe, Co, and Ni) monolayers and at metal-insulator (Fe/MgO) interfaces by means of full-potential linearized augmented plane wave method. For the monolayers, the MCA in the Fe monolayer (but not in the Co and Ni) is modified by the E-field, and a giant modification is achieved in the $Fe_{0.75}Co_{0.25}$. For the Fe/MgO interfaces, the ideal Fe/MgO interface gives rise to a large out-of plane MCA, and a MCA modification is induced when an E-field is introduced. However, the existence of an interfacial FeO layer between the Fe layer and the MgO substrate may play a key role in demonstrating an Efield-driven MCA switching, i.e., from out-of-plane MCA to in-plane MCA.

• Journal of the Korean Magnetics Society
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• v.17 no.3
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• pp.109-113
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• 2007

We investigated the magnetic properties of VRu(001) surface by using the all electron full-potenial linearized augmented planewave (FLAPW) energy band method within the GGA. We consider two different configurations, V and Ru surface layers, respectively. The V atoms in surface layer was calculated to have large magnetic moment of $1.71_{{\mu}_B}$ while the Ru surface layer to have nearly nonmagnetic state. The calculated spin-polarized density of states. spin density contour, and charge density were discussed in relation to the magnetic properties of VRu(001) surface.

• Journal of the Semiconductor & Display Technology
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• v.20 no.4
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• pp.125-129
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• 2021

We investigated the electronic property and atomic structure for chalcopyrite (CH) Al_xGa_1-xAs semiconductor by using first-principles FPLMTO method. The CH-Al_xGa_1-xAs exhibits a p-type semiconductor with a direct band-gap. For low Al concentration unoccupied hole-carriers are induced, but for high Al concentration it is formed a localized bonding or anti-bonding state below Fermi level. The hybridization of Al(3s)-Ga(4s, or 4p) is larger than that of Al(3s)-As(4s, or 4p). And the Al film on As-terminated surface, Al/AsGa(001), is more energetically favorable one than that on Ga-terminated (001) surface. Consequently, the band-gap of CH-Al_xGa_1-xAs system increases exponentially with increasing Al concentration. The change of lattice parameter is shown two different configurations with increasing Al concentration. The calculated lattice parameters for CH-Al_xGa_1-xAs system are compared to the experimental ones of zinc-blend GaAs and AlAs.

• Journal of the Korean institute of surface engineering
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• v.42 no.1
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• pp.8-12
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• 2009

Electronic structures and chemical bonding of Li-intercalated $LiTiS_2$ and $LiTiO_2$ were investigated by using discrete variational $X{\alpha}$ method as a first-principles molecular-orbital method. ${\alpha}-NaFeO_2$ structure is the equilibrium structure for $LiCoO_2$, which is widely used as a commercial cathode material for lithium secondary battery. The study especially focused on the charge state of Li ions and the magnitude of covalency around Li ions. The average voltage of lithium intercalation was calculated using pseudopotential method and the average intercalation voltage of $LiTiO_2$ was higher than that of $LiTiS_2$. It can be explained by the differences in Mulliken charge of lithium and the bond overlap population between the intercalated Li ions and anions in $LiTiO_2$ as well as $LiTiS_2$. The Mulliken charge, which means the ionicity of Li atom, was approximately 0.12 in $LiTiS_2$ and the bond overlap population (BOP) indicating the covalency between Ti and S was about 0.339. One the other hands, the Mulliken charge of lithium was about 0.79, which means that Li is fully ionized. The BOP, the covalency between Ti and O, was 0.181 in $LiTiO_2$. Because of high ionicity of Li and the weak covalency between Ti and the nearest anion, $LiTiO_2$ has a higher intercalation voltage than that of $LiTiS_2$.

• Journal of Magnetics
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• v.13 no.4
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• pp.140-143
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• 2008

The magnetic and structural properties of transition metal (Mn, Fe, Co) monolayers on Ta(001) surfaces are investigated theoretically by using the first principles full-potential linearized augmented plane wave method. Mn and Fe monolayers become ferromagnetic on Ta(001) surfaces while Co monolayers becomes non-magnetic. The paramagnetism of Co monolayers is explained by the Stoner theory of magnetism. The magnetic coupling of a transition metal overlayer with a substrate is ascribed to the orbital hybridization between the s and d orbitals of the transition metal.

• Proceedings of the Korean Magnestics Society Conference
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• 2012.11a
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• pp.117-118
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• 2012

In this study, the magnetic and electronic properties of ${\alpha}-Mn$ have been investigated using the all-electron FLAPW method based on the GGA. The local magnetic moment of Mn atoms are consistent with previously calculated results. Detailed discussion on the structural, magnetic, and electronic properties of ${\alpha}-Mn$ will be given.