• Proceedings of the Korean Magnestics Society Conference
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• 2007.05a
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• pp.104.1-104.1
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• 2007

• Proceedings of the Korean Magnestics Society Conference
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• 2000.09a
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• pp.325-326
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• 2000

Low temperature diagnosis was performed as a probe for the integrity of MTJ(Magnetic tunnel junction) process which is optimised for the given plasma oxidation condition. TMR ratio increased slowly with decreasing temperature than that expected from spin wave exitation theory〔1〕. Junction resistance (RJ) does not follow T$\^$-$\frac{1}{2}$/ law below 200 K, indicating another conduction path besides spin polarized tunneling is involved at low temperature. Temperature dependence of conductance dip and bias dependence of TMR with temperature are discussed, from which the quality of tunnel barrier and its formation process can be inferred.

• Journal of the Korean Chemical Society
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• v.23 no.2
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• pp.65-74
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• 1979

An effect of the spin-orbit coupling interaction of ligand orbitals on the ground state for octahedral $[Ti(Ⅲ)A_3B_3]$, $ [V(Ⅲ)A_3B_3]$, $ [Fe(Ⅲ)A_3B_3]$ and $ [Ni(Ⅱ)A_3B_3]$ type complexes has been investigated in this work, applying the degenerate perturbation theory. The wave functions are not affected but the energy level splitting for the ground state of these complexes by the spin-orbit coupling interaction of ligand orbitals. The extent of effect on the energy level splitting for the ground state is decreased in order Ti(Ⅲ) > V(Ⅲ) > Fe(Ⅲ).

• Journal of Magnetics
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• v.12 no.2
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• pp.68-71
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• 2007

Even a pure bulk Fe has a complicated magnetic phase and its magnetism is still needed to be clarified. In this study we investigated the magnetism of bcc and fcc bulk Fe with total energy calculations as functions of atomic volume. The full-potential linearized augmented plane wave method was adopted within a generalized gradient approximation. The ground state of bulk Fe is confirmed to be of ferromagnetic (FM) bcc. For fcc structured Fe an antiferromagnetic (AFM) state is more stable compared to FM states which exist as low spin and high spin states. The stable AFM states were found to accompany a tetragonal distortion, while the FM states remained in a cubic symmetry. At an expanded lattice constant a high spin FM state was calculated to be able to be stabilized with significant enhanced magnetic moment compared to the value of the ground state, bcc FM.

• Journal of the Korean Magnetics Society
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• v.3 no.3
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• pp.179-184
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• 1993

The X-ray diffraction pattern of amorphous $Fe_{78}Si_{9}B_{13}$ alloy was analyzed to obtain the radial distribution function (RDF) where the first peak was in the form of Gaussian function. The calculated coordination number of the form of Gaussian functiono The calculated coordination number of the sample is 13.5, the mean distance betweeon near-neighbor atoms $r_{0}$ is $2.595{\AA}$ and a Gaussian parametet ${\delta}r$ indicating near-neighbor atomic distri-bution is $0.27{\AA}$. The temperature dependence of saturated magnetization at low temperature could be explained by spin wave excitations theory yielding the spin wave stiffness constant as $117.8\;meV\;{\AA}^2$. Also, we tried to fit the observed temperature dependence of saturated magnetization with the Handrich's equation of the modified molecular field theory for the amorphous ferromagnet. Nice fittings are obtained when we used the parameters ${\Delta}=0.32$(S=1/2) and ${\Delta}=0.23$(S=1), respectively. Finally, the calculated spin wave stiffness constant using the parameters and the structural data are $149\;meV\;{\AA}^2$ for S=1/2 and $138\;meV\;{\AA}^2$ for S=1, respectively. The mean exchange coupling integral between near-neighbor atoms was estimated to be 17.9 meV for S=1/2 and 6.7 meV for S=1.

• Nuclear Engineering and Technology
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• v.51 no.5
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• pp.1373-1380
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• 2019

Besides promising implications as fertile nuclear materials, thorium carbonitrides are of great interest owing to their peculiar physical and chemical properties, such as high density, high melting point, good thermal conductivity. This paper reports first-principles simulation results on the structural, electronic and magnetic properties of cubic thorium carbonitrides $ThC_xN_{(1-x)}$ (X = 0.03125, 0.0625, 0.09375, 0.125, 0.15625) employing formalism of density-functional-theory. For the simulation of physical properties, we incorporated full-potential linearized augmented plane-wave (FPLAPW) method while the exchange-correlation potential terms in Kohn-Sham Equation (KSE) are treated within Generalized-Gradient-Approximation (GGA) in conjunction with Perdew-Bruke-Ernzerhof (PBE) correction. The structural parameters were calculated by fitting total energy into the Murnaghan's equation of state. The lattice constants, bulk moduli, total energy, electronic band structure and spin magnetic moments of the compounds show dependence on the C/N concentration ratio. The electronic and magnetic properties have revealed non-magnetic but metallic character of the compounds. The main contribution to density of states at the Fermi level stems from the comparable spectral intensity of Th (6d+5f) and (C+N) 2p states. In comparison with spin magnetic moments of ThSb and ThBi calculated earlier with LDA+U approach, we observed an enhancement in the spin magnetic moments after carbon-doping into ThN monopnictide.

• 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 applied mathematics & informatics
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• v.11 no.1_2
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• pp.1-57
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• 2003

Vector fields in three-space admit bundles of internal variables such as a Heisenberg algebra bundle. Information transmission along field lines of vector fields is described by a wave linked to the Schrodinger representation in the realm of time-frequency analysis. The preservation of local information causes geometric optics and a quantization scheme. A natural circle bundle models quantum information visualized by holographic methods. Features of this setting are applied to magnetic resonance imaging.

• 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).

• Nuclear Engineering and Technology
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• v.53 no.2
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• pp.592-602
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• 2021

Thorium compounds have attracted immense scientific and technological attention with regard to both fundamental and practical implications, owing to unique chemical and physical properties like high melting point, high density and thermal conductivity. Hereby, we investigate the mechanical and thermodynamic stability and report on the structural, electronic and magnetic properties of new silicon-doped cubic ternary thorium phosphides ThSi_xP_1-x (x = 0, 0.25, 0.5, 0.75 and 1). The first-principles density functional theory procedure was adopted within full-potential linearized augmented plane wave (FP-LAPW) method. The exchange and correlation potential terms were treated within Generalized-Gradient-Approximation functional modified by Perdew-Burke-Ernzerrhof parameterizations. The proposed compounds showed mechanical and thermodynamic stable structure and hence can be synthesized experimentally. The calculated lattice parameters, bulk modulus, total energy, density of states, electronic band structure and spin magnetic moments of the compounds revealed considerable correlation to the Si substitution for P and the relative Si/P doping concentration. The electronic and magnetic properties of the doped compounds rendered them non-magnetic but metallic in nature. The main orbital contribution to the Fermi level arises from the hybridization of Th(6d+5f) and (Si+P)3p states. Reported results may have potential implications with regard to both fundamental point of view and technological prospects such as fuel materials for clean nuclear energy.