• Title/Summary/Keyword: electronic structures

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Electronic and Magnetic Structures of {Ca,Sr,Ba}$Fe_2As_2$ : Dynamical Mean Field Theory Approach ({Ca,Sr,Ba}$Fe_2As_2$의 전자 및 자성 구조: 동력학적 평균장 이론 접근)

  • Lee, Geun-Sik;Shim, Ji-Hoon
    • Progress in Superconductivity
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    • v.13 no.2
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    • pp.85-89
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    • 2011
  • Using the density functional theory and its combination to the dynamical mean field theory (DMFT), we have studied the electronic and magnetic structures of Fe-based superconductors, $AFe_2As_2$ (A=Ca, Sr, Ba). Our results for the electronic structure agree well with existing angle resolved photoemission spectroscopy (ARPES) data. The temperature dependent magnetization has been calculated using DMFT, and the magnetic transition temperatures are reasonably consistent with the experimentally observed trend for three compounds.

ReaxFF and Density Functional Theory Studies of Structural and Electronic Properties of Copper Oxide Clusters

  • Baek, Joo-Hyeon;Bae, Gyun-Tack
    • Journal of the Korean Chemical Society
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    • v.64 no.2
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    • pp.61-66
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    • 2020
  • In this study, we investigate the structural and electronic properties of copper oxide clusters, CunOn (n = 9 - 15). To find the lowest energy structures of copper oxide clusters, we use ReaxFF and density functional theory calculations. We calculate many initial copper oxide clusters using ReaxFF quickly. Then we calculate the lowest energy structures of copper oxide clusters using B3LYP/LANL2DZ model chemistry. We examine the atomization energies per atom, average bond angles, Bader charges, ionization potentials, and electronic affinities of copper oxide clusters. In addition, the second difference in energies is investigated for relative energies of copper oxide clusters.

Ferromagnetic Heterostructures based on Semiconductors

  • Tanaka, M.;Sugahara, S.;Nazmul, A.M.
    • Proceedings of the Korean Magnestics Society Conference
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    • 2003.06a
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    • pp.262-262
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    • 2003
  • Creating a new spin-based electronics (often called "spin-electronics" or "spintronics") is one of the hot topics in the current solid-state physics and electronics research. In order to utilize the spin degree of freedom in solids, particularly in semiconductors the current electronics is based on, we need to fabricate appropriate materials, understand and control the spin-dependent phenomena. In this ta1k, I will review the recent deve1opments of epitaxial ferromagnetic hetero structures based on semiconductors towards spintronics. This includes the semiconductor materials and hetero structures having high ferromagnetic transition temperature (III-V based alloy magnetic semiconductors, Mn-delta-doped magnetic semiconductors, and related heterostructures), spin-dependent transport and tunneling, and their device applications (tunneling magnetoresistance devices and three-terminal devices). Future issues and prospects will be also discussed.

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Electronic Structures, Magnetic, and Superconducting Properties of bcc Ni and V-doped Ni (Ni16-xVx)

  • Kim, Bong-Jae;Choi, Hong-Chul;Kim, Kyoo;Min, B.I.
    • Journal of Magnetics
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    • v.13 no.4
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    • pp.128-131
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    • 2008
  • We have investigated the electronic structures and magnetic properties of both undoped and doped bcc Ni using the full-potential linearized augmented plane wave (FLAPW) band method. A ferromagnetic ground state is obtained at the equilibrium volume of bcc Ni. When the system is under strain, the nonmagnetic ground state is stabilized. When the Ni is doped with V, the $Ni_{16-x}V_x$ material loses its magnetic properties when x > 2. We have also discussed the possible superconducting properties of $Ni_{16-x}V_x$.

Fabrication of Nano-Structures on NiFe Film by Anodization with Atomic Force Microscope

  • Okada, T.;Uchida, H.;Inoue, M.
    • Journal of Magnetics
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    • v.11 no.3
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    • pp.135-138
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    • 2006
  • We studied local anodization on permalloy $(Ni_{80}Fe_{20})$ thin film with an atomic force microscope (AFM), which was performed by applying a voltage between the permalloy sample and conductive AFM tip. Comparing with anodization on Si (100) substrate, nano-structures on the permalloy thin film was fabricated with low processability.In order to improve the processability on the permalloy thin film, we used dot-fabrication method, thatis, a conductive AFM probe was kept at a position on the film during the anodization process.

Electronic Structures and Magnetic Properties of Fe/Si/Fe Trilayer

  • Park, Jin-Ho;Youn, Suk-Ju;Min, Byung-Il;Yi, Jae-Yel
    • Journal of Magnetics
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    • v.1 no.1
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    • pp.4-8
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    • 1996
  • Employing the LMTO band method, we have studied electronic and magnetic properties of Fe/Si/Fe trilayer in which the z-direction is chosen to be (111) direction of FeSi with B2 phase, We have also determined electronic structure of bulk FeSi, as a reference material. The ground state of FeSi is paramagnetic insulator with a band gap of 0.05 eV. Band structures of Fe/Si/Fe with varying the thickness of the spacer layer reveal that the spacer layer is metallic, and the states along the growth direction do not disperse much reflecting a two-dimensional nature. Magnetic moment of Fe atom in the interfacial layer of Fe/Si/Fe is reduced a lot as compared to the bulk value, suggesting a strong hybridization between Fe and Si states. The geometry of the Fermi surface indicates that the magnetic coupling period of ~8ML (monolayers) in Fe/Si/Fe is explained with a short Fermi wave vector of bcc Si.

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PERFORMANCE IMPROVEMENT OF IMPULSE RAD10S IN MULTICARRIER ENVIRONMENTS

  • Lee, Hojoon;Byungchil Han;Sungbin Im
    • Proceedings of the IEEK Conference
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    • 2000.07a
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    • pp.144-147
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    • 2000
  • In this paper, we propose two receiver structures of the impulse radio (IR) system to improve its performance in multipath environments. Recently, the impulse radio system has drawn much attention for future high-speed wire-less communication services. The conventional IR receiver directly correlates received signals with the ideal reference waveform, which results in performance degradation in multipath environments. The Key idea of the proposed receiver structures is to reflect the multipath Characteristics into the IR receiver. One is to deconvolve the received waveform with estimates of the multipath gains to obtain the transmitted waveform while the other is to modify the reference waveform of the correlator according to the estimates of the multipath gains. We examine the performance of the proposed schemes for the statistical indoor wireless communication channel model using computer simulation.

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Compact Rotman Lens with Size-Reduced Transition Structures between the Lens Body and the Connecting Lines

  • Lee, Woosung;Kim, Youngsub;Kim, Jaeheung;Yoon, Young Joong
    • Journal of electromagnetic engineering and science
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    • v.13 no.2
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    • pp.120-126
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    • 2013
  • This paper introduces a new design for a Rotman lens that has been proposed to minimize its size and provide a suitable design for a compact beamforming system. The size reduction is realized by minimizing the length of the transition structures, which are positioned between the lens body and the connecting lines. The proposed structure is much shorter than a conventional transition structure, which is a tapered line in general. As a result, a 45% size reduction can be achieved by using the proposed transition structure, compared to a typical Rotman lens with linearly tapered lines. Therefore, the proposed Rotman lens will be suitable for compact beamforming systems.

Transport properties of boron/nitrogen/phosphorus binary doped graphene nanoribbons: An ab initio study

  • Kim, Seong Sik;Kim, Han Seul
    • Proceeding of EDISON Challenge
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    • 2013.04a
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    • pp.273-277
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    • 2013
  • We apply a density functional theory (DFT) and DFT-based non-equilibrium Green's function approach to study the electronic and transport properties of graphene nanoribbons (GNRs) co-doped with boron-nitrogen, nitrogen-phosphorus and boron-phosphorus. We analyze the structures and charge transport properties of co-doped GNRs and particularly focus on the novel effects that are absent for the single N-, B-, or P-doped GNRs. It is found that co-doped GNRs tend to be doped at the edges and the electronic structures of co-doped GNRs are very sensitive to the doping sites. Also, in case of B-N and B-P co-doped GNRs, conductance dips of single-doped GNRs disappeared with the disappearance of localized states associated with doped atoms. This may lead to a possible method of band engineering of GNRs and benefit the design of graphene electronic devices.

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Systematic Analysis of Bandgap Evolution of Conjugated Polymers

  • Hong, Sung Y.
    • Bulletin of the Korean Chemical Society
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    • v.16 no.9
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    • pp.845-850
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    • 1995
  • A systematic method is presented to analyze the bandgaps of conjugated polymers in terms of geometrical relaxations and electronic effect of moieties using the equation of Eg=ΔEδr + ΔE1-4 + ΔEel. The relationship between ΔEδr and δr is derived from trans-PA and is transferred to other conjugated polymeric systems. By applying this method to heterocyclic polymers, very useful information is obtained to understand the evolution of bandgaps of PT, PPy and PF in connection with the chemical structures and electronic effect of the heteroatoms. We believe that this method is very helpful to understand the evolution of bandgaps of various conjugated polymers in connection with the chemical structures and electronic effect of moieties. Also, the method is expected to provide valuable information to design a small bandgap polymers.