• 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.

• Journal of Magnetics
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• v.4 no.4
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• pp.107-110
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• 1999

In order to investigate the magnetism of Ru submonolayer on Pb(001), we have performed first-principles calculations for half-layer of Ru on Pd(001) using the full-potential linearzed augmented plane wave (FLAPW) method. We have found that the magnetic moment of Ru for 0.5 layer is 2.21 B. It is found that substrate Pd layers are polarized by the 0.5 Ru overlayer to have significant magnetic moments. Our results are compared with those obtained by the anomalous Hall effect. The calculated electronic structures, i,e., the spin densities and density of states are presented and discussed in relation with magnetic properties.

• Progress in Superconductivity
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• v.14 no.1
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• pp.11-16
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• 2012

Based on fully self-consistent dynamical mean field theory (DMFT) method, we investigate electronic structure and Fermi surface nesting property of LiFeAs and NaFeAs, focusing on the correlation effect of iron 3d orbital. For LiFeAs, good nesting property by density functional theory (DFT) method is much suppressed by DFT+DMFT method due to the orbital-dependent renormalization magnitude. NaFeAs shows a similar behavior, but a better nesting is obtained than LiFeAs from DFT+DMFT Fermi surfaces. Our result is consistent with the observed superconducting (spin density wave) ground state of LiFeAs (NaFeAs).

• Journal of the Korean Magnetics Society
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• v.15 no.1
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• pp.7-11
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• 2005

A single slab in which one Ni(001) atom layer embedded between two of four Rh layers is considered to examine the oscillation of magnetic moment in each layer. The all electron total-energy full-potential linearized augmented plane wave(FLAPW) method was used to calculate the spin densities, magnetic moments, density of states(DOS), and the number of electrons within each muffin-tin(MT) sphere. The magnetic moment of the center layer Ni(C) in the system of 4Rh/Ni/4Rh is calculated to be 0.34${\mu}_B$, which is 40% have magnetic moment at the interface layers by strong band hybridization with Ni(C) when Ni(001) monolayers is inserted, and the magnetic moment shows a damped oscillation as we go from center Ni(C) layer to the surface Rh(S). From the calculated density of states, it is found that the Fermi level shifts inside the energy band of the Ni(C) in affection of Rh(001).

• Journal of the Korean Magnetics Society
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• v.26 no.2
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• pp.39-44
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• 2016

Determination of the structural, electronic, and magnetic properties of the magnetically doped bismuth-telluride alloys are drawing lots of interest in the fields of the thermoelectric application as well as the research on magnetic interaction and topological insulator. In this study, we performed the first-principles electronic structure calculations within the density functional theory for the Gd doped bismuth-tellurides in order to study its magnetic properties and magnetic phase stability. All-electron FLAPW (full-potential linearized augmented plane-wave) method is employed and the exchange correlation potentials of electrons are treated within the generalized gradient approximation. In order to describe the localized f-electrons of Gd properly, the Hubbard +U term and the spin-orbit coupling of the valence electrons are included in the second variational way. The results show that while the Gd bulk prefers a ferromagnetic phase, the total energy differences between the ferromagnetic and the antiferromagnetic phases of the Gd doped bismuth-telluride alloys are about ~1meV/Gd, indicating that the stable magnetic phase may be changed sensitively depending on the structural change such as defects or strains.

• Journal of the Korean Magnetics Society
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• v.5 no.5
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• pp.641-644
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• 1995

We have studied the effect of the nitrogen on the microstructure, thermomagnetic properties and corrosion resistance of Fe-Hf-C-N nanocrystalline thin films with high permeability and high saturation magnetization. These films were fabricated by reactive sputtering in $Ar+N_{2}$ plasma using an rf magnetron sputtering apparatus. As $P_{N2}$ increases, the microstructure changes from amorphous to crystalline $\alpha$-Fe phase and again returns to amorphous one. Spin wave stiffness constant increases with $P_{N2}$ until 5% $P_{N2}$, and then decreases with the further increase. This trend corresponds well with that of the microstructure with increasing $P_{N2}$. The Fe-Hf-C-N films with over 3% $P_{N2}$ show higher corrosion resistance than the N-free Fe-Hf-C films. The Fe-Hf-C-N films are considered to have high potentials for the head core materials suitable for high density recording systems, owing to their excellent soft magnetic properties and corrosion resistance.

• Journal of the Korean Society for Nondestructive Testing
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• v.32 no.4
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• pp.393-400
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• 2012

In recent years, nano-structured thin film systems are often applied in industries such as MEMS/NEMS device, optical coating, semiconductor or like this. Thin films are used for many and varied purpose to provide resistance to abrasion, erosion, corrosion, or high temperature oxidation and also to provide special magnetic or dielectric properties. Quite a number of articles to evaluate the characterization of thin film structure such as film density, film grain size, film elastic properties, and film/substrate interface condition were reported. Among them, the evaluation of film adhesive to substrate has been of great interest. In this study, we fabricated the polymeric thin film system with different adhesive conditions to evaluate the adhesive condition of the thin film. The nano-structured thin film system was fabricated by spin coating method. And then V(z) curve technique was applied to evaluate adhesive condition of the interface by measuring the surface acoustic wave(SAW) velocity by scanning acoustic microscope(SAM). Furthermore, a nano-scratch technique was applied to the systems to obtain correlations between the velocity of the SAW propagating within the system including the interface and the shear adhesive force. The results show a good correlation between the SAW velocities measured by acoustic spectroscope and the critical load measured by the nano-scratch test. Consequently, V(z) curve method showed potentials for characterizing the adhesive conditions at the interface by acoustic microscope.

• Journal of the Korean Magnetics Society
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• v.21 no.4
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• pp.127-131
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• 2011

In this paper, we study the electronic and magnetic properties of Cr substituted SiTe in the rock-salt structure compound using the full potential linearized augmented plane wave method within the generalized gradient approximation to the exchange correlation potential. Two stoichiometries are studied: $CrSi_3Te_4$ with 25 %, and $CrSiTe_2$ with 50 % Cr substitution. We found, from the total energy calculations, that the equilibrium lattice constant for cubic $CrSi_3Te_4$ is 11.64 a.u. and a = 7.89 a.u. and c = 11.13 a.u. for tetragonal $CrSiTe_2$. The integer value of the calculated magnetic moment per unit cell, $4{\mu}_B$ for $CrSiTe_2$ suggests that this compound is halfmetallic. The magnetic moment per unit cell for $CrSi_3Te_4$ is slightly larger than $4{\mu}_B$. The magnetic moment on Cr atoms are 3.61 and $3.62{\mu}_B$ in the $CrSi_3Te_4$ and $CrSiTe_2$, respectively. The presence of Cr atoms causes that the other atoms become slightly magnetized in both compounds. The electronic properties and the magnetism are discussed with the calculated spin-polarized density of states.

• Journal of the Korean Magnetics Society
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• v.17 no.4
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• pp.147-151
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• 2007

We have investigated the half-metallicity and magnetism for the Heusler ferromagnet $Co_2$ZrSi interfaced with semiconductor ZnTe along the (001) plane by using the full-potential linearized augmented plane wave (FLAPW) method. We considered low types of possible interfaces: ZrSi/Zn, ZrSi/Te, Co/Zn, and Co/Te, respectively. From the calculated density of states, it was found that the half-metallicity was lost at all the interfaces, however for the Co/Te system the value of minority spin density of states was close to zero at the Fermi level. These facts are due to the interface states, appeared in the minority spin gap in bulk $Co_2$ZrSi, caused by the changes of the coordination and symmetry and the hybridizations between the interface atoms. At the Co/Te interface, the magnetic moments of Co atoms are 0.68 and $0.78{\mu}_B$ for the "bridge" and "antibridge" sites, respectively, which are much reduced with respect to that ($1.15{\mu}_B$) of the bulk $Co_2$ZrSi. In the case of Co/Zn, Co atoms at the "bridge" and "antibridge" sites have magnetic moments of 1.16 and $0.93{\mu}_B$, respectively, which are almost same or slightly decreased compared to that of the bulk $Co_2$ZrSi. On the other hand, for the ZrSi/Zn and ZrSi/Te systems, the magnetic moments of Co atoms at the sub-interface layers are in the range of $1.13{\sim}1.30\;{\mu}_B$, which are almost same or slightly increased than that of the bulk $Co_2$ZrSi.

• Progress in Medical Physics
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• v.10 no.1
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• pp.33-40
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• 1999

Purpose: To simulate and measure the signal intensity of various tissues near bone interface in 2D and 3D neurological MR images. Materials and Methods: In neurological proton density (PD) weighted images, every component in the head including cerebrospinal fluid (CSF), muscle and scalp, with the exception of bone, are visualised. It is possible to acquire images in 2D or 3D. A 2D fast spin-echo (FSE) sequence is chosen for the 2D acquisition and a 3D gradient-echo (GE) sequence is chosen for the 3D acquisition. To find out the signal intensities of CSF, muscle and fat (or scalp) for the 2D spin-echo(SE) and 3D gradient-echo (GE) imaging sequences, the theoretical signal intensities for 2D SE and 3D GE were calculated. For the 2D fast spin-echo (FSE) sequence, to produce the PD weighted image, long TR (4000 ms) and short TE$_{eff}$ (22 ms) were employed. For the 3D GE sequence, low flip angle (8$^{\circ}$) with short TR (35 ms) and short TE (3 ms) was used to produce the PD weighted contrast. Results: The 2D FSE sequence has CSF, muscle and scalp with superior image contrast and SNR of 39 - 57 while the 3D GE sequence has CSF, muscle and scalp with broadly similar image contrast and SNR of 26 - 33. SNR in the FSE image were better than those in the GE image and the skull edges appeared very clearly in the FSE image due to the edge enhancement effect in the FSE sequence. Furthermore, the contrast between CSF, muscle and scalp in the 2D FSE image was significantly better than in the 3D GE image, due to the strong signal intensities (or SNR) from CSF, muscle and scalp and enhanced edges of CSF. Conclusion: The signal intensity of various tissues near bone interface in neurological MR images has been simulated and measured. Both the simulation and imaging of the 2D SE and 3D GE sequences have CSF, fat and muscle with broadly similar image intensity and SNR's and have succeeded in getting all tissues about the same signal. However, in the 2D FSE sequence, image contrast between CSF, muscle and scalp was good and SNR was relatively high, imaging time was relatively short.