• Title/Summary/Keyword: Magnetic moment

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Magnetic Properties and Electronic Structure of $Pt_3Ni$ (001), (110) and (111) Surfaces: Density Functional Study

  • Kumar, Sharma Bharat;Kwon, O-Ryong;Odkhuu, Dorj;Hong, Soon-Cheol
    • Proceedings of the Korean Magnestics Society Conference
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    • 2011.06a
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    • pp.129-129
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    • 2011
  • The limited understanding of the surface properties of $Pt_3Ni$ for the oxygen reduction reaction (ORR) in polymer electrolyte membrane fuel cell (PEMFC) has motivated the study of properties and electronic structures of seven layered $Pt_3Ni$ (001), (110), and (111) surfaces. The first principle method based on density functional theory (DFT) is carried out. It is found that the bulk $Pt_3Ni$ has a ferromagnetic ground state with the ordered fcc type L12 structure, which is in good agreement with other results. Non magnetic Pt has the induced magnetic moment due to the strong hybridization between 3d Ni and 5d Pt. The magnetic moment of Pt and Ni enhanced on the surface of each due to surface effect however the magnetic moment of surface Pt in the Pt-segregated Pt3Ni (111) decreased and the magnetic moment of Ni in Ni rich subsurface increased significantly. The calculated d band centers of Pt explain the possibilities for oxygen absorption and play the important roles in altering the catalytic properties. The spin polarized densities of states are presented in order to understand physical properties of Pt in different surfaces in detail.

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Gradient Optimized Gradient-Echo Gradient Moment Nulling Sequences for Flow Compensation of Brain Images

  • Jahng, Geon-Ho;Stephen Pickup
    • Investigative Magnetic Resonance Imaging
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    • v.4 no.1
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    • pp.20-26
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    • 2000
  • Gradient moment nulling techniques require the introduction of an additional gradient on each axis for each order of motion correction to be applied. The additional gradients introduce new constraints on the sequence design and increase the demands on the gradient system. The purpose of this paper is to demonstrate techniques for optimization of gradient echo gradient moment nulling sequences within the constraints of the gradient hardware. Flow compensated pulse sequences were designed and implemented on a clinical magnetic resonance imaging system. The design of the gradient moment nulling sequences requires the solution of a linear system of equations. A Mathematica package was developed that interactively solves the gradient moment nulling problem. The package allows the physicist to specify the desired order of motion compensation and the duration of the gradients in the sequence with different gradient envelopes. The gradient echo sequences with first, second, and third order motion compensation were implemented with minimum echo time. The sequences were optimized to take full advantage of the capabilities of the gradient hardware. The sequences were used to generate images of phantoms and human brains. The optimized sequences were found to have better motion compensation than comparable standard sequences.

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A First-principles Study on Magnetic and Electronic Properties of Ni Impurity in bcc Fe

  • Rahman, Gul;Kim, In-Gee
    • 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.

Calculation of electric field gradient tensor for simple point charge distributions and its application to real systems

  • Choh, Sung-Ho;Shin, Hee-Won;Park, II-Woo;Ju, Heong-Kyu;Kim, Jong-Hyun;Kim, Hae-Jin
    • Journal of the Korean Magnetic Resonance Society
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    • v.7 no.1
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    • pp.16-24
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    • 2003
  • Nuclei with the spin quantum number not smaller than unity have not only the nuclear magnetic moment but also the electric quadrupole moment. The quadrupole moment couples with the electric field gradient (EFG) to produce the nuclear quadrupole interaction. It is well known that two independent parameters, i.e. the quadrupole coupling constant (QCC) and the asymmetry parameter ($\eta$) together with the principal axis directions can fully describe the interaction and are very sensitive to the local symmetry and structure of the solid. In order to obtain quantitative estimates of the EFG tensor for various simple ionic configurations surrounding the nucleus under consideration, we employ the simple point charge approximation and apply the calculated results to some real crystals. General agreement is rather satisfactory.

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The magnetic relaxation of MgB2 powder

  • Jeong Hun Yang;Jong Su You;Soo Kyung Lee;Kyu Jeong Song
    • Progress in Superconductivity and Cryogenics
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    • v.25 no.3
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    • pp.28-33
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    • 2023
  • Magnetic relaxation properties of pure MgB2 powder samples and diluted water-treated MgB2 powder samples were investigated. The magnetic field H-dependence, m(H), and the time t-dependence, m(t), of the magnetic moment m were measured and analyzed using the PPMS-VSM magnetometer equipment, respectively. The m(t) reduction rates of pure MgB2 powder samples and diluted water-treated MgB2 powder samples decreased to about 0.7 ~ 1.8% and 0.6 ~ 1.0% for about 7200 s, respectively, at temperature T = 15 K. The magnetic relaxation properties of the two types of MgB2 powders were analyzed by calculating the magnetic relaxation rate S = -dln(Mirr)/dln(t) values according to Anderson-Kim theory. The magnetic relaxation ratio S values of the two types of MgB2 powder samples were almost similar. As a result of the quantum creep effect, the constant magnetic relaxation rate S characteristic was confirmed at a temperature range of T = 10 K or less.

ICOSAHEDRAL CLUSTERS AND MAGNETIC PROPERTIES OF $LaCo_{13}$ AMORPHOUS AND CRYSTALLINE ALLOYS

  • Fukamichi, K.;Fujita, A.;Ohashi, N.;Hashimoto, M.;Matsubara, E.;Waseda, Y.
    • Journal of the Korean Magnetics Society
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    • v.5 no.5
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    • pp.767-771
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    • 1995
  • The atomic structure and magnetic properties of $LaCo_{13}$ amorphous alloy have been investigated and compared with those of its crystalline counterpart. It has been confirmed that the amorphous alloy is composed of the icosahedral clusters with a $NaZn_{13}$-type structure. The magnetic moment and the spin- wave stiffness constant obtained from the magnetic measurements in the amorphous state are larger than those in the crystalline state. The Curie temperature estimated from the reduced magnetization curve for the former is much higher than the value for the latter. The localized magnetic moment character in the amorphous state is stronger than that in the crystalline state.

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Electronic and Magnetic Propwrties of a Novel Rare-earth Permanent Magnet : $Sm_{2}Fe_{17}N_{3}$ (신소재 희토류 영구자석, $Sm_{2}Fe_{17}N_{3}$ 화합물의 전자구조 연구)

  • 민병일;양충진
    • Journal of the Korean Magnetics Society
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    • v.3 no.2
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    • pp.94-100
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    • 1993
  • Electronic and magnetic properties of the novel rare-earth permanent magnet, $Sm_{2}Fe_{17}N_{3}$, are investigated by performing self-consistent local density functional electronic structure calculations. Employing the LMTO(Linearized Muffin-Tin Orbital) band method, we have obtained the electronic band structures for both paramag-netic and ferromagnetic phases of $Sm_{2}Fe_{17}N_{3}$. Based on the energy band structures, we have studied bonding ef-fects among Sm, Fe, and N atom as well as electronic and magnetic structures. It is found that the N atom sub-stantially reduces the magnetic moment of neighboring Fe atoms through the hybridization interaction and also plays a role in stabilizing the structure. the average magnetic moment of Fe atoms in the ferromagnetic phase of $Sm_{2}Fe_{17}N_{3}$ is estimated to be $2.33{\mu}_B$, which is ~8% larger than the magnetic moment of $Sm_{2}Fe_{17}$, $2.16{\mu}_B$. The Fe I (c) atom, which is located farthest from the N atom and surrounded by 12 Fe nearest neighbors, has the largest magnetic moment ($2.65{\mu}_B$), while the Fe III (f), whose hybridization interaction with N atom is very strong, has the smallest magnetic moment($1.96{\mu}_B$).

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First-Principles Calculations for the Structual and Magnetic Properties of Nin (n=1-4) Nanowire Systems (단위 세포당 n(n=1-4)개의 원자를 갖는 Nin 나노와이어 계의 구조및 자기적 특성에 대한 제일원리 연구)

  • KIM, Dong-Chul
    • Journal of the Korean Magnetics Society
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    • v.16 no.4
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    • pp.193-196
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    • 2006
  • The magnetic properties of Ni nanowires consisting of one to four atoms are investigated by mean of ab initio spin-polarized density functional calculations. Stability of zigzag-square $Ni_4$ nanowire is larger than $Ni_4$ nanowires with square. The magnetic moment of linear $Ni_1$ is $1.34{\mu_B}/atom$, which is the largest magnitude among moments of five Ni nanowires. The magnetic moment of Ninanowires show to be decreased by increasing the number of atoms in unit cell. The smallest moment is $0.91 {\mu_B}/atom$ for square $Ni_4$ nanowire. The spin polarization of zigzag-square $Ni_4$ nanowire is 32% higher than that of fcc bulk Ni.

Spark Plasma Sintering Behaviors of M-type Barium Hexaferrite Nano Powders

  • Jung, Im Doo;Kim, Youngmoo;Hong, Yang-Ki;Park, Seong Jin
    • Journal of Powder Materials
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    • v.21 no.4
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    • pp.256-259
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    • 2014
  • A magnetic powder, M-type barium hexaferrite (BaFe12O19), was consolidated with the spark plasma sintering process. Three different holding temperatures, $850^{\circ}C$, $875^{\circ}C$ and $900^{\circ}C$ were applied to the spark plasma sintering process with the same holding times, heating rates and compaction pressure of 30 MPa. The relative density was measured simultaneously with spark plasma sintering and the convergent relative density after cooling was found to be proportional to the holding temperature. The full relative density was obtained at $900^{\circ}C$ and the total sintering time was only 33.3 min, which was much less than the conventional furnace sintering method. The higher holding temperature also led to the higher saturation magnetic moment (${\sigma}_s$) and the higher coercivity ($H_c$) in the vibrating sample magnetometer measurement. The saturation magnetic moment (${\sigma}_s$) and the coercivity ($H_c$) obtained at $900^{\circ}C$ were 56.3 emu/g and 541.5 Oe for each.

Mixed Wave Function for Heavy Fermion Compounds

  • Bang, Yun-Kyu
    • Progress in Superconductivity
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    • v.11 no.2
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    • pp.135-140
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    • 2010
  • We propose a variational wave function for the ground state of the magnetic heavy fermion (HF) systems, in which both the Kondo and the RKKY interactions are variationally incorporated and the local f-orbital state exists as a linear combination of a full local moment state and a fully compensated state (mixed wave state). We describe the mechanism for the mixed wave ground state based on the large-N treatment of the Kondo lattice Hamiltonian added with RKKY interaction. With the mixed wave ground state we can explain several puzzling experiments in magnetic HF compounds such as a small value of local moment, coexistence of the antiferromagnetic (AFM) and the paramagnetic (PM) phases, local quantum criticality, etc.