• 제목/요약/키워드: Molecular magnetism

검색결과 12건 처리시간 0.023초

Development of magnetism in armchair graphene nanoribbons with edge functionalizations: A first-principles study

  • Shin, Dongjae;Kim, Yong-Hoon
    • EDISON SW 활용 경진대회 논문집
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    • 제6회(2017년)
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    • pp.376-382
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    • 2017
  • Graphene nanoribbons with zigzag-shaped edge (zGNRs) are predicted to be magnetic insulator at the ground state, attracting significant interest in view of spintronic applications [1]. On the other hand, although they are energetically and thermodynamically more favored than zGNRs [2], graphene nanoribbons with armchair-shaped edge (aGNRs) have been less spotlighted than zGNRs due to the absence of magnetism. Herein, based on the combined density functional theory (DFT) and matrix Green's function (MGF) approach, we consider aGNRs functionalized with various molecular groups, and show that the spin polarizations develop for some of the considered aGNR edge functionalization cases. The origin of the induced magnetism will be discussed within the Lieb's theorem [3]. This work will provide a novel guidance for the development of graphene-based spintronic devices.

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분자 자성체의 자기 특성과 양자역학적 효과 (The Magnetic Properties and Quantum Effects of Molecular Nanomagnets)

  • 장지훈
    • 한국자기학회지
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    • 제14권2호
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    • pp.83-88
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    • 2004
  • 자성의 양자 역학적 터널 효과의 발견 이후 학술적 관심이 증대된 분자 자성체의 자기적 성질과 양자역학적 효과에 대하여 고찰하였다. 분자 자성체는 유기물 골격 구조 안에 자성 이온이 일정한 구조를 가지고 배열되어 있는 금속-유기물 분자로서, 동일한 구조를 가지는 분자들 간의 자기적 상호작용이 매우 작은 분자들이 거대한 분자-결정을 형성하고 있다. 이러한 이유로 기존의 자성 물질에 비해서 많은 특이한 성질들을 가지고 있는데 특히 거시적 측정의 결과가 미시적인 특성, 즉, 분자의 자기적 성질을 그대로 보여 준다는 점은 매우 흥미롭다. 분자 자성체의 자성에 대해 고찰함에 있어서 미시적인 연구 방법인 핵자기 공명법을 이용한 연구들에 중점을 두고 고찰하였다. Mnl2-ac에서 발견된 자성의 양자적 터널 현상을 핵자기 공명법으로 관측하는 방법에 대하여 연구하였고 그것을 이용한 양자역학적 터널 현상에 대한 미시적 연구도 고찰하였다. 또한 분자 자성체에서 핵자기 공명법으로 처음으로 발견된 레벨간의 교차효과도 그 물리적 의미를 실험 결과들을 가지고 고찰하였다. 이러한 분자 자성체 대한 연구는 향후 응용분야에서 필요할 자기 기억 소자의 크기의 한계에 대한 정보를 줄 수 있고, 양자 컴퓨터에의 응용에 필요한 기초 지식을 제공할 것이다. 학술적인 면에서는 지금까지 잘 이해되지 않고 실험적으로 검증이 되지 않았던 많은 양자역학적 이론들의 실험적 검증이 가능할 것이다.

The Effect of Pinholes on Magnetic Behaviour of Antiferromagnetically Coupled Ni-Fe/Cu Mulitlayers

  • Stobiecki, F;Lucinski, T;Dubowik, J;Szymanski, B;Urbaniak, M;Castano, F.J;Stobiecki, T
    • Journal of Magnetics
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    • 제3권3호
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    • pp.89-91
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    • 1998
  • The magnetisation behaviour of polycrystalline permalloy/copper multilayers with mixed antiferromagnetic/ferromagnetic coupling was investigated as function of temperature. The results are discussed in a framework of a realistic model of anitferromagnetically coupled layers connected by ferromagnetic pinholes. A microstructure of pinholes (their density and dimensions) was varied either by a proper annealing treatment or by choosing samples with various Cu spacer thicknesses. It was demonstrated that the temperature changes of the net magnetic moment measured in a magnetic field smaller than the saturation field was strongly affected by the composition of the pinholes, their density, cross-sectional area and their lengths.

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1,2-비스(4-피리딜)에탄을 이용한 직선형 착화합물의 구축 (Preparation of Linear Complex Compound with 1,2-Bis(4-pyridyl)ethane)

  • 권윤정
    • 한국염색가공학회지
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    • 제12권4호
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    • pp.264-268
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    • 2000
  • Molecular-based materials with such functions as catalysis, magnetism and coordinate clathrations of one-, two-, and three-dimensional infinite frameworks have been extensively studied. Although rigid bridged ligands were frequently employed to construct these materials, flexible ligands were exploited less for this purpose. A one-dimensional polymer ${[Cd_2(=mu-bpe)_2](\mu-bpe)}(NO_3)_4}_n$ is prepared ; its structure is strikingly characterized by heptacoordinate Cd ions as well as by a unique main framework.

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제1원리 분자궤도계산법에 의한 초기 spin 조건에 따른 $MnO_2$ 반도체의 전자상태 변화 계산 (Calculation on Electronic State of $MnO_2$ Oxide Semiconductor with other initial spin conditions by First Principle Molecular Orbital Method)

  • 이동윤;김봉서;송재성;김현식
    • 한국전기전자재료학회:학술대회논문집
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    • 한국전기전자재료학회 2003년도 추계학술대회 논문집 Vol.16
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    • pp.148-151
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    • 2003
  • The spin density of ${\beta}-MnO_2$ structure was theoretically investigated by $DV-X_{\alpha}$ (the discrete variation $X{\alpha}$) method, which is a sort of the first principle molecular orbital method using Hatre-Fock-Slater approximation. The used cluster model was $[Mn_{14}O_{56}]^{-52}$. The ${\beta}-MnO_2$ is a paramagnetic oxide semiconductor material having the energy band gap of 0.18 eV and an 3 loan-pair electrons in the 3d orbital of an cation. This material exhibits spin-only magnetism and has the magnetic ordering temperature of 94 K. Below this temperature its magnetism appears as antiferromagnetism. The calculations of electronic state showed that if the initial spin condition of input parameters changed, the magnetic state changed from paramagnetic to antiferromagnetic. When d orbital of all Mn atoms in cluster had same initial spin state as only up spin, paramagnetic spin density distribution appeared by the calculation. On the other way, d orbital had alternately changed spin state along special direction the resulted spin distribution showed antiferromagnetism.

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광전자 분석 실험을 이용한 $Ba(Fe_{1-x}Ru_x)_2As_2$ 물질의 전자구조분석 (Electronic Structure Studies on $Ba(Fe_{1-x}Ru_x)_2As_2$ by Photoemission)

  • 정원식;김용관;김범영;;;엄만진;김준성;김창영
    • Progress in Superconductivity
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    • 제12권2호
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    • pp.99-103
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    • 2011
  • We performed angle resolved photoelectron spectroscopy (ARPES) studies on Ru doped $BaFe_2As_2$ with various Ru contents. Ru, which is doped into a parent compound $BaFe_2As_2$ and substitute Fe, does not donate or accept electrons. However, it induces superconductivity. From ARPES data along the high symmetry cuts and Fermi surface maps, we investigate the electron correlation and carrier density at the Fermi level. We observe that the Fermi velocity increases with Ru doping, suggesting reduction in electron correlation. In addition, we address issues on local vs. itinerant pictures for the magnetism in $BaFe_2As_2$.

The Effect of Cr Dosage on FePt Nanoparticle Formation

  • Won, C.;Keavney, D.J.;Divan, R.;Bader, S.D.
    • Journal of Magnetics
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    • 제11권4호
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    • pp.182-188
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    • 2006
  • The search for high-density recording materials has been one of most active and vigorous field in the field of magnetism. $FePt-L1_{0}$ nanoparticle has emerged as a potential candidate because of its high anisotropy. In this paper, we provide an overview of recent work at Argonne National Laboratory that contributes to the ongoing dialogue concerning the relation between structure and properties of the FePt nanoparticle system. In particular we discuss the ability to control structure and properties via dosing with Cr. Cr-dosed FePt films were grown via molecular beam epitaxy and annealed at $550^{\circ}C$ in an ultrahigh vacuum chamber, and were studied with the surface magneto-optic Kerr effect (SMOKE), scanning electron microscopy (SEM) and x-ray magnetic circular dichroism (XMCD). We found that small dosage of Cr helps to generate $L1_{0}$ phase FePt magnetic nanoparticles with small size, defined shape and regular spatial distribution on MgO (001) substrate. The nanostructures are ferromagnetic with high magnetic coercivity (${\sim}0.9T$) and magnetic easy axis in the desired out-of-plane orientation. We also show that controlling the lateral region where nanostructures exist is possible via artificial patterning with Cr.

Spin and Pseudo Spins in Theoretical Chemistry. A Unified View for Superposed and Entangled Quantum Systems

  • Yamaguchi, Y.;Nakano, M.;Nagao, H.;Okumura, M.;Yamanaka, S.;Kawakami, T.;Yamaki, D.;Nishino, M.;Shigeta, Y.;Kitagawa, Y.;Takano, Y.;Takahata, M.;Takeda, R.
    • Bulletin of the Korean Chemical Society
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    • 제24권6호
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    • pp.864-880
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    • 2003
  • A unified picture for magnetism, superconductivity, quantum optics and other properties of molecule-based materials has been presented on the basis of effective model Hamiltonians, where necessary parameter values have been determined by the first principle calculations of cluster models and/or band models. These properties of the matetials are qualitatively discussed on the basis of the spin and pseudo-spin Hamiltonian models, where several quantum operators are expressed by spin variables under the two level approximation. As an example, ab initio broken-symmetry DFT calculations are performed for cyclic magnetic ring constructed of 34 hydrogen atoms in order to obtain effective exchange integrals in the spin Hamiltonian model. The natural orbital analysis of the DFT solution was performed to obtain symmetry-adapted molecular orbitals and their occupation numbers. Several chemical indices such as information entropy and unpaired electron density were calculated on the basis of the occupation numbers to elucidate the spin and pair correlations, and bonding characteristic (kinetic correlation) of this mesoscopic magnetic ring. Both classical and quantum effects for spin alignments and singlet spin-pair formations are discussed on the basis of the true spin Hamiltonian model in detail. Quantum effects are also discussed in the case of superconductivity, atom optics and quantum optics based on the pseudo spin Hamiltonian models. The coherent and squeezed states of spins, atoms and quantum field are discussed to obtain a unified picture for correlation, coherence and decoherence in future materials. Implications of theoretical results are examined in relation to recent experiments on molecule-based materials and molecular design of future molecular soft materials in the intersection area between molecular and biomolecular materials.

희토류 자석의 자성이 골모세포 성장인자 수용체의 증가에 미치는 영향에 관한 연구 (Effect of the magnetism(neodymium magnet) on growth factor receptors of osteoblasts)

  • 이상민;이성복;최부병
    • 구강회복응용과학지
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    • 제19권2호
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    • pp.87-96
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    • 2003
  • The purposes of this study were to find out the optimum intensity of magnetic field where magnetism could promote the activity of osteoblast, and to discover the possibility of clinical application in the areas of dental implants and bone grafts by confirming the effect of clinically increasing bone formation. In this experiment, we used the Neodymium magnet, which had magnetic power six times as strong as the current ones and enabled the resistances against the demagnetization up to 20 to 50 times to be minimized with the size of 1mm in sight. In order to culture cells, a specially designed device was used. It was made to adjust the distance and accordingly to control the intensity of the magnetic field, by placing the cell culture plate in the center with a magnet of 1mm long and thick installed on the both ends. Using MC3T3-E1 cell, a kind of osteoblast-like cell, we cultured, for 24 hours, not only the test group which had been cultured under the magnetic fields with different intensity of 5, 10, 50, 100, 500, and 1000 Gauss, but also the control group excluding the influences of the magnetic field. After observing the cell's form and the density of the culture medium through an inverted microscope, we made a series of proceedings needed for the immunofluoroscence staining, such as fixation, normal serum reaction, primary antibody reaction, and secondary antibody reaction. And with a fluorescence microscope, we observed those-above and compared the frequency of expression of IFG-1 receptor. To make a Western immunoblotting analysis, the cells cultured under the same condition as the above had the procedure of the lysis buffer and the acrylamide gel electrophoresis was carried out. Protein transferred into the nitrocellulose membrane and tested on the primary and the secondary antibody reactions was observed and compared. The results were as follows: When observed through an inverted microscope, the nuclear divisions of the cells under the magnetic field of 10 Gauss were the most active, and the density of the cells could be observed the most enormously. As the result of an immunofluoroscence staining of IGF-1 receptor, the expression of IFG-1 was the most frequently observed under the magnetic field of 10 Gauss. On the other hand, few differences of consideration were made between the test group cultured under the magnetic fields of 5, 500, and 1000 Gauss and the control group. In respect of the expression of IFG-1 receptor, the test group cultured under the magnetic fields of 50 and 100 Gauss were higher than the control group, and lower than that cultured under the magnetic field of 10 Gauss.(p<0.05) According to the Western immunoblotting analysis, the band of IFG-1 receptor which had 85KDa of molecular weight was the darkest. Judging from the above-mentioned results, the growth factor receptor of an osteoblast cell which was an important criterion for the bone formation was increased in maximum under the magnetic field of 10 Gauss. Moreover it was observed that the optimum intensity of magnetic field in which magnetism made the activity of the osteoblast cell increase was about 10 Gauss.