• Title/Summary/Keyword: Magnetic Moments

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Effects of Al Impurity on Magnetism in bcc Fe by a First-principles Calculation

  • Seo, Seung-Woo;Rahman, Gul;Kim, In-Gee
    • Proceedings of the Korean Magnestics Society Conference
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    • 2009.12a
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    • pp.72-73
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    • 2009
  • First-principles calculations were carried out to investigate the effects of Al impurities on bcc Fe magnetism by considering SOC. No significant solid solution hardening effect was found. Albeit the effects of the SOC by Al on spin magnetic moments were minor, there are sizeable orbital magnetic effects. It is concluded that the orbital magnetism due to the Al impurity is strongly related with the impurity screening of the system as seen in Si impurity case [3], but the effects of Al impurity is stronger than those of Si impurity in terms of orbital magnetism.

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Synthesis and Characterization of Substituted Pyridine Complexes of Molybdenum (Ⅰ). Substituted Pyridinium Salts of Oxopentaisothiocyanatomolybdates(Ⅴ) (몰리브덴의 피리딘계 착물합성과 그 성질 (제1보). 옥소이소티오시아나토몰리브덴 (Ⅴ) 의 치환 피리딘늄염)

  • Sang Oh Oh;Chang Su Kim
    • Journal of the Korean Chemical Society
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    • v.25 no.3
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    • pp.177-182
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    • 1981
  • Benzoylpyridinium and lutidinium salts containing$ [MoO(NCS)_5]^{2-}$ have been synthesized. The complexes have been characterized by spectroscopic, magnetic susceptibility and conductivity studies. Benzoylpyridinium and lutidinium oxopentaisothiocyanatomolybdates(Ⅴ) arise from d-d and charge transfer transitions. The magnetic moments of the complexes are close to the spin-only values. The complex anions are mononuclear containing N-bonded $NCS^-$ ligand.

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Giant Perpendicular Magnetic Anisotropy of a Fe(001) Surface: A Density Functional Study

  • Odkhuu, D.;Rhim, S.H.;Yun, Won Seok;Hong, S.C.
    • Proceedings of the Korean Magnestics Society Conference
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    • 2013.12a
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    • pp.29-29
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    • 2013
  • We predict agigantic perpendicular magnetocrystalline anisotropy (MCA) in Fe (001) capped by 5d transition metal (TM) overlayers by using first principles calculations. Analysis of atom-by-atom contribution to MCA reveals that gigantic MCA as large as 11 meV/TM originates not from Fe atoms but from the 5d TMs through the strong spin-orbit coupling. More specifically, it is the hybridization between TM and Fe d orbitals that also induces non-negligible magnetic moments in TM. Furthermore, spin-channel decompositions of MCA matrix with and without the presence of Fe substrate identify the electronic origin of the perpendicular MCA that the down-down channel contribution plays the most crucial role for the sign changes of MCA of TM overlayers upon the hybridization with Fe-3d.

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Scattering of Coaxial Waveguide with Periodic Axial Slots Using Characteristic Mode Theory : TE Case (특성모드 이론을 이용한 주기적인 축방향 슬롯이 있는 동축선로 도파관 구조의 산란특성 : TE의 경우)

  • 윤리호;조영기
    • The Journal of Korean Institute of Electromagnetic Engineering and Science
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    • v.8 no.6
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    • pp.629-635
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    • 1997
  • The theory of characteristic modes for coaxial waveguide with periodic axial slots is used to derive the weighted eigenvalue equation for calculating the characteristic values and the characteristic currents. Once the characteristic values and the characteristic currents are obtained, the important quantities such as the equivalent magnetic current, radiation patterns, and RCS are determined. Numerical results of the equivalent magnetic currents, radiation patterns, and RCS are compared with those obtained by use of the method of moments. A fairly good correspondence is observed between them.

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Surface and Interface Magnetism in CoTi/FeTi/CoTi(110)

  • Lee G.H.;Jin Y. J.;Lee J. I.;Hong S.C.
    • 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.

Electronic Structures of half-metallic phase of ternary Fe_2TX (T = 3d transition metal and X = Al, Si) (절반금속 Fe_2TX 화합물의 전자구조 연구 (T = 3d 전이금속; X = Al, Si))

  • Park, Jin-Ho;Kwon, Se-Kyun;Byung ll Min
    • Proceedings of the Korean Magnestics Society Conference
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    • 2000.09a
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    • pp.584-584
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    • 2000
  • Electronic structures of ordered Fe$_3X (X = Al, Si), and their derivative ternary alloys of Fe_2TX (T = 3d transition metal) have been investigated by using the linearized muffin-tin orbital (LMTO) band method. The role of the coupling between substituted transition metal and its neighbors is investigated by calculating the magnetic moments and local density of states (LDOS). It is shown that it is essential to include the coupling beyond nearest neighbors in obtaining the magnetic moment of Fe alloy. The preferential sites of T impurities in Fe_3X are determined from the total energy calculations. The derivative ternary alloys of Fe_2TX have characteristic electronic structures of semi-metal for Fe_2VAI and (nearly) half-metal for Fe_2TAI (T = Cr, Mn) and Fe_2TSi (T = V, Cr, Mn)

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A First-principles Study on Magnetism of Al Impurity in bcc Fe

  • Rahman, Gul;Kim, In-Gee
    • Journal of Magnetics
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    • v.16 no.1
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    • pp.1-5
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    • 2011
  • The magnetism and electronic structure of bcc $Al_1Fe_{26}$ was investigated by means of first-principles calculations with and without spin-orbit coupling (SOC). From the calculated total energy, the SOC corrected system is shown to be approximately 5 meV per atom lower than the SOC uncorrected system. The induced spin magnetic moment at the Al site was -0.125 ${\mu}_B$ without SOC and -0.124 ${\mu}_B$ with SOC. The orbital magnetic moments were calculated to be 0.002 ${\mu}_B$ in [$\overline{1}$00] direction for Al. The electronic structures showed the nearest neighbor antiferromagnetic interaction between Fe and Al to be essential for determining the magnetism of the $Al_1Fe_{26}$ system.

Elimination of car's magnetic effect as noise in a car-borne magnetic exploration system (차량 자력탐사에서 차량의 영향의 제거)

  • Lim, Mu-Taek;Park, Yeong-Sue;Chung, Hyun-Key;Rim, Hyoung-Rae;Koo, Sung-Bon;Lee, Young-Chal
    • 한국지구물리탐사학회:학술대회논문집
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    • 2006.06a
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    • pp.141-151
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    • 2006
  • A blank test was done to calculatee the car itself's magnetic effect as noise and to eliminate it from the data set of total magnetic intensity(=magnetic flux density) exploration in a car-borne magnetic exploration system. To calculate the induced magnetic intensity(= magnetization) and the remanent magnetic intensity(= magnetization) of the car itself, we have installed the magnetometer on a fixed point and measured the magnetic intensity letting the car move around the magnetometer, and we have changed the data set into an analogous data set as if acquired in the condition that we have parked the car on the same fixed point and measured the magnetic intensity moving the magnetometer around the magnetometer. Through an inversion with the later data set as input, we have calculated the magnetic center and the magnetic moments of the induced magnetic intensity(= magnetization) and the remanent magnetic intensity(= magnetization) of the car itself with the two centers coincided because of some barriers of the inversion algorithm that we have used in this study. On the other hand, we have extracted the magnetic anomaly by reducing i. e. vectorially eliminating the induced magnetic intensity(= magnetization) and the remanent magnetic intensity(= magnetization) of the car itself calculated forwardly, from the magnetic exploration data set acquired by the car-borne magnetic exploration system.

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Determination of Surface Currents on Circular Microstrip Antennas

  • Godaymi, Wa'il A.;Mohammed, Abdul-Kareem Abd Ali;Ahmed, Zeki A.
    • Journal of electromagnetic engineering and science
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    • v.12 no.4
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    • pp.260-270
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    • 2012
  • This work aims to present a theoretical analysis of the electric and magnetic surface current densities of a circular microstrip antenna (CMSA) as a body of revolution. The rigorous analysis of these problems begins with the application of the equivalence principle, which introduces an unknown electric current density on the conducting surface and both unknown equivalent electric and magnetic surface current densities on the dielectric surface. These current densities satisfy the integral equations (IEs) obtained by canceling the tangential components of the electric field on the conducting surface and enforcing the continuity of the tangential components of the fields across the dielectric surface. The formulation of the radiation problems is based on the combined field integral equation. This formulation is coupled with the method of moments (MoMs) as a numerical solution for this equation. The numerical results of the electric and magnetic surface current densities on the outside boundary of a CMSA excited by $TM_{11^-}$ and $TM_{21^-}$ modes are presented. The radiation pattern is calculated numerically in the two principle planes for a CMSA and gives a good results compared with measured results published by other research workers.

First-principles Study on the Half-metallicity and Magnetism of a Full Heusler Alloy, Co2HfSi, in Bulk State and at its (001) Surfaces

  • Jin, Ying-Jiu;Lee, Jae-Il
    • 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.