• Title/Summary/Keyword: Magnetic interactions

Search Result 215, Processing Time 0.023 seconds

The LDA+U Effect on the Electronic Structure and Magnetism of Bulk, Monolayer, and Linear Chain of Iron (덩어리, 단층 및 사슬 구조 철의 전자구조와 자성에 대한 LDA+U 효과)

  • Landge, Kalpana K.;Bialek, Beata;Lee, Jae-Il
    • Journal of the Korean Magnetics Society
    • /
    • v.19 no.3
    • /
    • pp.81-84
    • /
    • 2009
  • We examine the effect of U term (U = 3 eV) describing the Coulomb interactions between electrons on the results of electronic band structure calculations carried out for bcc Fe bulk, monolayer, and chain. We investigated the properties of the three Fe structures by using the all-electron total-energy full-potential linearized augmented plane wave method. The U term was included in the exchange - correlation functionals constructed on the basis of local density approximation (LDA) and general gradient approximation (GGA). We found that in the case of bcc Fe bulk structure inclusion of the U term leads to the overestimated values of magnetic moment on Fe atom. The values of magnetic moment calculated for Fe in monolayer and chain are in accordance with calculations in which the U term was not included. In general, for each system the calculated values of magnetic moment on Fe sites were larger when the U term was incorporated in the energy functional. In Fe bulk, the value of magnetic moment $2.54{\mu}_B$ for LDA+U larger than $2.25{\mu}_B$ for LDA.

Half-metallicity at the Surfaces of Rocksalt and Zinc-blende Sodium Nitride (암염 및 Zinc-blende 구조를 가지는 NaN 표면의 반쪽금속성에 대한 제일원리 연구)

  • Kim, Dong-Chul;Bialek, Beata;Lee, Jae-Il
    • Journal of the Korean Magnetics Society
    • /
    • v.22 no.4
    • /
    • pp.117-120
    • /
    • 2012
  • Compounds such as NaN belong to an interesting class of materials in which a magnetic order may appear despite the lack of d electrons. The magnetic properties of these materials are ascribed to the partially filled p shells. Recently, on the basis of electronic structure calculations from first principles, it has been found that NaN is a ferromagnetic half-metal in rocksalt (RS) and zinc-blende (ZB) structures with half-metallic band gaps in majority electron channels. The former structure has appeared to be more stable. From the first-principles calculation, we found that the half-metallic properties of the bulk RS and ZB NaN are conserved at the RS(001) and ZB(110) surfaces. Due to the interactions between Na s and N p electrons, N atoms become positively polarized. In the RS NaN (001) the calculated values of the magnetic moments of the N atoms is about $0.73{\mu}_B$. The magnetic moment on the N atom in the top most layer of ZB(110) is slightly larger than that of the RS(001) surface, i.e., $0.75{\mu}_B$. The Na atoms in the both structure are hardly polarized.

Magnetic and Electronic Properties of Reduced Rutile Ti1-xMnxO2-δ Thin Films

  • Kim, Kwang-Joo;Park, Young-Ran;Ahn, Geun-Young;Kim, Chul-Sung
    • Journal of Magnetics
    • /
    • v.11 no.1
    • /
    • pp.12-15
    • /
    • 2006
  • Magnetic and electronic properties of reduced rutile titanium dioxide $(TiO_{2-\delta})$ thin films doped by Mn have been investigated. The present sol-gel-grown semiconducting $TiO_{2-\delta}:Mn$ films exhibit a ferromagnetic behavior at room temperature for a limited range of Mn content. The Mn-doped films have p-type electrical conductivity with the carrier concentration near $10^{19}\;cm^{-3}$. The observed room-temperature ferromagnetism is believed to be intrinsic but not related to free carriers such as holes. Oxygen vacancies are likely to contribute to the room-temperature ferromagnetism-trapped carriers in oxygen vacancies can mediate a ferromagnetic coupling between neighboring $Mn^{+3}$ ions. The energy band-gap change due to the Mn doping measured by spectroscopic ellipsometry exhibits a red-shift compared to that of the undoped sample at low Mn content. It is explainable in terms of strong spin-exchange interactions between Mn ion and the carrier.

Core-loss reduction on PM for IPMSM with concentrated winding (집중권을 시행한 영구자석 매입형 동기전동기의 철손 저감)

  • Lee, Hyung-Woo;Park, Chan-Bae;Lee, Byung-Song;Kim, Nam-Po
    • Proceedings of the KSR Conference
    • /
    • 2011.10a
    • /
    • pp.1832-1837
    • /
    • 2011
  • This paper presents the optimal permanent magnet shape on the rotor of an interior permanent magnet motor to reduce the core losses and improve the performance. As permanent magnet has conductivity inherently, it causes huge amount of eddy current losses by the slot harmonics with concentrated winding. This loss is roughly 100 times larger than that of distributed winding in high speed operation and it cannot be ignored, especially on traction motors. Each eddy current loss on permanent magnet has been investigated in detail by using FEM(Finite Element Method) instead of EMCNM(Equivalent Magnetic Circuit Network Method) in order to consider saturation and non-linear magnetic property. Simulation-based DOE(Design Of Experiment) is also applied to avoid large number of analyses according to each design parameter and consider expected interactions among parameters. Consequently, the optimal design to reduce the core loss on the permanent magnet while maintaining or improving motor performance is proposed by an optimization algorithm using regression equation derived and lastly, the core loss reduction on the proposed shape of the permanent magnet is verified by FEM.

  • PDF

One-Dimensional Hydrogen-Bonded Infinite Chains Composed of a Nickel(II) Macrocyclic Complex and Organic Ligands

  • Choi, Ki-Young;Ryu, Hae-Il;Lee, Kyu-Chul;Lee, Han-Hyoung;Hong, Choon-Pyo;Kim, Jae-Hyun;Sung, Nack-Do
    • Bulletin of the Korean Chemical Society
    • /
    • v.24 no.8
    • /
    • pp.1150-1154
    • /
    • 2003
  • The reactions of [Ni(L)(H₂O)₂]Cl₂ (L = 2,5,9,12-tetramethyl-1,4,8,11-tetraazacyclotetradecane) with terephtalate (tp) and 2,5-pyridinedicarboxylate (pdc) generate one-dimensional nickel(II) complexes, [Ni(L)(H₂O)₂](tp) · ₄H₂O (1) and [Ni(L)(H₂O)₂](pdc)·₄H₂O (2). The structures have been characterized by X-ray crystallography, magnetic susceptibility and spectroscopy. The crystal structures of 1 and 2 show a distorted octahedral coordination geometry around the Ni(II) ion, with secondary amines of the macrocycle and two water molecules at the trans position. Complexes 1 and 2 display the one-dimensional hydrogen-bonded infinite chains. The magnetic behavior of all compounds exhibits weak interchain antiferromagnetic interactions with J values of -1.09(3) for 1 and -1.14(2) cm-1 for 2.

A Study on the Characteristic of Noise and Vibration in 3-Phase Induction Motor for the Forklift (전동 지게차용 3 상 유도 모터의 소음 진동 특성에 대한 연구)

  • Kim, Woo-Hyung;Chung, Jin-Tai
    • Proceedings of the Korean Society for Noise and Vibration Engineering Conference
    • /
    • 2007.11a
    • /
    • pp.764-769
    • /
    • 2007
  • This paper is studied the noise and vibration characteristics analysis of the three-phase induction AC motor of the electrical forklift. And we suggest the method which the reduction orders the noise and vibration to be the mechanical. In other to investigate these characteristics, we considered the mechanical characteristics, the electromagnetic effects, and these interactions. In mechanical, we studied the characteristic of the stator, the bearing supported condition of the rotor, and the sound radiation. In electronically, this paper is considered the harmonic effect which is related the magnetic motive force (mmf) with respect to the characteristic of the slot number of the rotor and the stator and the pole number of the motor. Finally we investigated the overall noise and vibration of the induction motor by relations between the electronically harmonic and the mechanical resonance of the stator. By the analysis of the generally three-phase induction motor, we suggest the design methodology to low noise and vibration.

  • PDF

Structure-Activity Relationship of the N-terminal Helix Analog of Papiliocin, PapN

  • Jeon, Dasom;Jeong, Min-Cheol;Kim, Jin-Kyoung;Jeong, Ki-Woong;Ko, Yoon-Joo;Kim, Yangmee
    • Journal of the Korean Magnetic Resonance Society
    • /
    • v.19 no.2
    • /
    • pp.54-60
    • /
    • 2015
  • Papiliocin, from the swallowtail butterfly, Papilio xuthus, shows high bacterial cell selectivity against Gram-negative bacteria. Recently, we designed a 22mer analog with N-terminal helix from $Lys^3$ to $Ala^{22}$, PapN. It shows outstanding antimicrobial activity against Gram-negative bacteria with low toxicity against mammalian cells. In this study, we determined the 3-D structure of PapN in 300 mM DPC micelle using NMR spectroscopy and investigated the interactions between PapN and DPC micelles. The results showed that PapN has an amphipathic ${\alpha}$-helical structure from $Lys^3$ to $Lys^{21}$. STD-NMR and DOSY experiment showed that this helix is important in binding to the bacterial cell membrane. Furthermore, we tested antibacterial activities of PapN in the presence of salt for therapeutic application. PapN was calcium- and magnesium-resistant in a physiological condition, especially against Gram-negative bacteria, implying that it can be a potent candidate as peptide antibiotics.

Structural stability of CD1 domain of human mitotic checkpoint serine/threonine-protein kinase, Bub1

  • Kim, Hyun-Hwi;Song, Hyun-Kyu;Lee, Bong-Jin;Park, Sung Jean
    • Journal of the Korean Magnetic Resonance Society
    • /
    • v.19 no.2
    • /
    • pp.88-94
    • /
    • 2015
  • Bub1 is one of the spindle checkpoint proteins and plays a role in recruitment of the related proteins to kinetochore. Here, we studied the structural characteristic of the evolutionarily conserved 160 amino acid region in the N-terminus (hBub1 CD1), using Circular Dichroism (CD) and NMR. Our CD results showed that hBub1 CD1 is a highly helical protein and its structure was affected by pH: as pH was elevated to basic pH, the helical propensity increased. This could be related to the surface charge of the hBub1 CD1. However, the structural change did not largely depend on the salt concentration, though the thermal stability a little increased. The previous NMR analysis revealed that the hBub1 CD1 adopts eight helices, which is consistent with the CD result. Our result would be helpful for evaluating the molecular mechanism of the hBub1 CD1 and protein-protein interactions.

Interaction of ${\varepsilon}-L-{\beta}-lysine$ as a Tail Analogy of Tallysomycin-A to a Double Helical DNA Oligonucletide $d(CGCTTCGAAGCG)_{2}$, was investigated by NMR

  • Lee, Chang-Jun;Won, Ho-Shik
    • Journal of the Korean Magnetic Resonance Society
    • /
    • v.11 no.2
    • /
    • pp.129-137
    • /
    • 2007
  • During the screening of material which has the antimicrobial activity against aminoglycoside-resistant bacteria, A new material ${\varepsilon}-(L-{\beta}-lysine)$ polypeptide from a culture medium of Streptomyces sp.(DWGS2) was isolated, and the structure and the physicochemical properties of the new material were elucidated. The new material was separated by column chromatography of the culture medium using Dowex $1{\times}2$, Silica gel, and Sephadex LH20 etc. The structure and molecular weight were determined with the data of NMR, MALDI mass, and ESI mass experiments. And the monomer obtained by hydrolysis of the new material with 6N-HCI was identified as a $L-{\beta}-lysine(T_2)$, which is a tail of bleomycin. As tail-region analogy, $T_2({\beta}-lysine$ derivatives from streptomyces) interactions with a self-complementary oligonucleotides, $d(CGCTTCGAAGCG)_2$, was investigated by NMR.

  • PDF

MAGNETIC RESONANCE IMAGING AND HISTOPATHOLOGIC CORRELATIONS OF FOCAL LESIONS INDUCED BY LASER (레이저 조사후 자기공명영상과 조직학적 소견의 상호일치도)

  • 이정구;정필상;정필섭;조정석;김상준
    • Korean Journal of Bronchoesophagology
    • /
    • v.2 no.2
    • /
    • pp.194-199
    • /
    • 1996
  • Laser therapy is becoming an accepted procedure for tissue coagulation and ablation and is especially useful in treating tumors. The laser energy is applied to the tissue of interest through various delivery systems which are introduced percutaneously, via blood vessels, through body openings, or during surgical exposure of the tissue. One of the major obstacles to effective application of lasers has been the lack of reliable method to determine the extent of tissue involvement in real time. Several methods have been proposed for monitoring the tissue response and controlling the laser in real time during laser therapy. Among them, magnetic resonance imaging(MRI) has been introduced to monitor laser-tissue interactions because laser irradiation induces changes not only in the thermal motions of the hydrogen protons within the tissue but also in the distribution and mobility of water and lipids. The buttocks of New Zealand rabbits were treated by KTP and $CO_2$laser(power : 10 watts, exposure time:10 seconds). m images were taken at immediately after lasering, 1 week later, 2 weeks later, and at the same time, tissues were harvested for histopathologic study. We analyzed MR images and histopathologic findigs of laser-treated tissues. The MR images taken immediately after laser treatment showed 3 layer pattern and which was correlated with histopathologic changes. We suggest MRI may become a useful monitoring tools for laser-tissue interaction.

  • PDF