• Title/Summary/Keyword: Wave Approximation

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Density Functional Study on Correlation between Magnetism and Crystal Structure of Fe-Al Transition Metal Compounds (Fe-Al 전이금속 화합물의 자성과 결정구조의 상관관계에 대한 밀도범함수연구)

  • Yun, Won-Seok;Kim, In-Gee
    • Journal of the Korean Magnetics Society
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    • v.21 no.2
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    • pp.43-47
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    • 2011
  • It is known that the Fe-Al transition metal compounds have a lot of disagreement about structural stability and magnetism. In this study, the correlation between magnetism and atomic structure of ordered $B_2$, $L1_2$, and $D0_3$ structured Fe-Al compounds has been investigated using the all-electron full-potential linearized augmented plane wave (FLAPW) method based on the generalized gradient approximation (GGA). We found that considered all the structures were calculated to be stabilized in a ferromagnetic state. The calculated spin magnetic moments of the Fe atoms for B2 and $L1_2$ structures were 0.771 and 2.373 ${\mu}_B$, respectively, and that of Fe(I) and Fe(II) in $D0_3$ structure calculated to be 2.409 ${\mu}_B$, 1.911 ${\mu}_B$, respectively. In order to investigate structural stability between $L1_2$ and $D0_3$ structures, we performed the formation enthalpy calculations. As a result, the $D0_3$ structure is found to be more favorable than $L1_2 one by energy difference 16 meV/atom, which is well consistent with the experimental observation. We understood about structural stability and magnetism for Fe-Al compounds in terms of analysis of their atomic and electronic structures.

Spin-orbit Coupling Effect on the Structural Optimization: Bismuth Telluride in First-principles (스핀-궤도 각운동량 상호작용의 구조 최적화에 대한 효과: 비스무스 텔루라이드의 제일원리 계산의 경우)

  • Tran, Van Quang;Kim, Miyoung
    • Journal of the Korean Magnetics Society
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    • v.23 no.1
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    • pp.1-6
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    • 2013
  • Spin-orbit coupling (SOC) effect is known to be the physical origin for various exotic magnetic phenomena in the low-dimensional systems. Recently, SOC also draws lots of attention in the study on magnetically doped thermoelectric alloys to determine their properties as the thermoelectric application as well as the topological insulator via the exact electronic structures determination near the Fermi level. In this research, aiming to investigate the spin-orbit coupling effect on the structural properties such as the lattice constants and the bulk modulus of the most widely investigated thermoelectric host material, $Bi_2Te_3$, we carried out the first-principles electronic structure calculation using the all-electron FLAPW (full-potential linearized augmented plane-wave) method. Employing both the local density approximation (LDA) and the generalized gradient approximation (GGA), the structural optimization is achieved by varying the in-plane lattice constant fixing the perpendicular lattice constant and vice versa, to find that the SOC effect increases the equilibrium lattices slightly in both directions while it markedly reduces the bulk modulus value implying the strong orientational dependence, which are attributed to the material's intrinsic structural anisotropy.

Time Dependent Interaction between Electromagnetic Wave and Dielectric Barrier Discharge Plasma Using Fluid Model (유체 모델을 이용한 유전체 장벽 방전 플라즈마와 전자기파 간의 시간 의존적 상호 작용 분석)

  • Kim, Yuna;Oh, Il-Young;Jung, Inkyun;Hong, Yongjun;Yook, Jong-Gwan
    • The Journal of Korean Institute of Electromagnetic Engineering and Science
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    • v.25 no.8
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    • pp.857-863
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    • 2014
  • In determining interaction between plasma and electromagnetic wave, plasma frequency and collision frequency are two key parameters. They are derived from electron density and temperature, which vary in an extremely wide range, depending on a plasma generator. Because the parameters are usually unknown, traditional researches have utilized simplified electron density model and constant electron temperature approximation. Introduction of plasma fluid model to electromagnetics is suggested to utilize relatively precise time dependent variables for given generator. Dielectric barrier discharge(DBD) generator is selected due to its simple geometry which allows us to use one dimensional analysis. Time dependent property is analyzed when microwave is launched toward parallel plate DBD plasma. Afterwards, attenuation tendency with the change of electron density and temperature is demonstrated.

Transient Analysis of General Dispersive Media Using Laguerre Functions (라게르 함수를 이용한 일반적인 분산 매질의 시간 영역 해석)

  • Lee, Chang-Hwa;Kwon, Woo-Hyen;Jung, Baek-Ho
    • The Journal of Korean Institute of Electromagnetic Engineering and Science
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    • v.22 no.10
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    • pp.1005-1011
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    • 2011
  • In this paper, we present a marching-on-in-degree(MOD) finite difference method(FDM) based on the Helmholtz wave equation for analyzing transient electromagnetic responses in a general dispersive media. The two issues related to the finite difference approximation of the time derivatives and the time consuming convolution operations are handled analytically using the properties of the Laguerre functions. The basic idea here is that we fit the transient nature of the fields, the flux densities, the permittivity with a finite sum of orthogonal Laguerre functions. Through this novel approach, not only the time variable can be decoupled analytically from the temporal variations but also the final computational form of the equations is transformed from finite difference time-domain(FDTD) to a finite difference formulation through a Galerkin testing. Representative numerical examples are presented for transient wave propagation in general Debye, Drude, and Lorentz dispersive medium.

An Analytical Model of the First Eigen Energy Level for MOSFETs Having Ultrathin Gate Oxides

  • Yadav, B. Pavan Kumar;Dutta, Aloke K.
    • JSTS:Journal of Semiconductor Technology and Science
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    • v.10 no.3
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    • pp.203-212
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    • 2010
  • In this paper, we present an analytical model for the first eigen energy level ($E_0$) of the carriers in the inversion layer in present generation MOSFETs, having ultrathin gate oxides and high substrate doping concentrations. Commonly used approaches to evaluate $E_0$ make either or both of the following two assumptions: one is that the barrier height at the oxide-semiconductor interface is infinite (with the consequence that the wave function at this interface is forced to zero), while the other is the triangular potential well approximation within the semiconductor (resulting in a constant electric field throughout the semiconductor, equal to the surface electric field). Obviously, both these assumptions are wrong, however, in order to correctly account for these two effects, one needs to solve Schrodinger and Poisson equations simultaneously, with the approach turning numerical and computationally intensive. In this work, we have derived a closed-form analytical expression for $E_0$, with due considerations for both the assumptions mentioned above. In order to account for the finite barrier height at the oxide-semiconductor interface, we have used the asymptotic approximations of the Airy function integrals to find the wave functions at the oxide and the semiconductor. Then, by applying the boundary condition at the oxide-semiconductor interface, we developed the model for $E_0$. With regard to the second assumption, we proposed the inclusion of a fitting parameter in the wellknown effective electric field model. The results matched very well with those obtained from Li's model. Another unique contribution of this work is to explicitly account for the finite oxide-semiconductor barrier height, which none of the reported works considered.

Half-metallicity and Magnetism at the (001) Surfaces of the Quaternary Heusler Alloys CoFeCrZ (Z = Ga, Ge): A First-principles Study (4원 호이슬러 합금 CoFeCrZ(Z = Ga, Ge)의 (001) 표면에서의 자성과 반쪽금속성: 제일원리 계산 연구)

  • Kim, Dong-Chul;Lee, Jae Il
    • Journal of the Korean Magnetics Society
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    • v.25 no.2
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    • pp.31-38
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    • 2015
  • Recently, a first-principles study led to a prediction that quaternary Heusler compounds, CoFeCrZ (Z = Ga, Ge) are excellent half-metallic ferromagnets. In this study, we investigate the electronic and the magnetic properties at the (001) surfaces of CoFeCrGa and CoFeCrGe by means of the full-potential linearized augmented plane wave (FLAPW) method within generalized gradient approximation. We considered two types of surface termination: CoFe-terminated and CrZ-terminated surfaces, Z being either Ga or Ge. From the calculated total magnetic moments and the local density of states, we found that half-metallicity is not preserved for all the surfaces. But the calculated atomic density of states showed that CrGa-terminated surface of the CoFeCrGa is almost half-metallic. The magnetic moment of the Co, Fe, or Cr atoms at the surface or subsurface layers in each system had very different values.

First-principles Study of Graphene/Hexagonal Boron Nitride Stacked Layer with Intercalated Atoms

  • Sung, Dongchul;Kim, Gunn;Hong, Suklyun
    • Proceedings of the Korean Vacuum Society Conference
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    • 2014.02a
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    • pp.185.2-185.2
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    • 2014
  • We have studied the atomic and electronic structure of graphene nanoribbons (GNRs) on a hexagonal boron nitride (h-BN) sheet with intercalated atoms using first-principles calculations. The h-BN sheet is an insulator with the band gap about 6 eV and then it may a good candidate as a supporting dielectric substrate for graphene-based nanodevices. Especially, the h-BN sheet has the similar bond structure as graphene with a slightly longer lattice constant. For the computation, we use the Vienna ab initio simulation package (VASP). The generalized gradient approximation (GGA) in the form of the PBE-type parameterization is employed. The ions are described via the projector augmented wave potentials, and the cutoff energy for the plane-wave basis is set to 400 eV. To include weak van der Waals (vdW) interactions, we adopt the Grimme's DFT-D2 vdW correction based on a semi-empirical GGA-type theory. Our calculations reveal that the localized states appear at the zigzag edge of the GNR on the h-BN sheet due to the flat band of the zigzag edge at the Fermi level and the localized states rapidly decay into the bulk. The open-edged graphene with a large corrugation allows some space between graphene and h-BN sheet. Therefore, atoms or molecules can be intercalated between them. We have considered various types of atoms for intercalation. The atoms are initially placed at the edge of the GNR or inserted in between GNR and h-BN sheet to find the effect of intercalated atoms on the atomic and electronic structure of graphene. We find that the impurity atoms at the edge of GNR are more stable than in between GNR and h-BN sheet for all cases considered. The nickel atom has the lowest energy difference of ~0.2 eV, which means that it is relatively easy to intercalate the Ni atom in this structure. Finally, the magnetic properties of intercalated atoms between GNR and h-BN sheet are investigated.

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FDTD 방법을 이용한 3T MRI용 RF 코일의 해석

  • 이종오;박준서;명노훈;박부식;김용권;정성택
    • The Journal of Korean Institute of Electromagnetic Engineering and Science
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    • v.11 no.6
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    • pp.976-983
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    • 2000
  • In this paper, Bridcage type RF coils used widely as RF coils for MRI and its applicable type, spiral type RF coil are analyzed and designed using FDTD method. In low tesla (IT, 1.5T) MRI system, several tools have been used for the analysis and design of the RF coils for MRI. This includes, so-called, LC equivalent circuit method for predicting the resonance frequency of the coil and the Biot-Savart law to determine the field distribution within the coil. Both of the circuit analysis and Biot-Savart law are low frequency techniques. Therefore, at high frequency applications, the circuit model approximation breaks down because the coil geometry is a significant fraction of the wavelength. In this paper, we analyzed and designed RF coils for 3T MRI using FDTD method. This method is a full wave analysis and very accurate at low and high frequencies. Also, this RF coils are actually fabricated and FDTD models of RF coils for MRI are proven.

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First-Principles Study on the Magnetism and Electronic Structure of Fe Nanostripes (나노 구조 철띠의 자성과 전자구조에 대한 제일원리 연구)

  • Byun, Y.;Lee, J.I.
    • Journal of the Korean Magnetics Society
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    • v.16 no.5
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    • pp.229-233
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    • 2006
  • We investigated the magnetic properties of Fe nanostripes by using the all electron full-potenial linearized augmented plane-wave (FLAPW) energy band method within the generalized gradient approximation (GGA). The magnetic moments of the Fe atoms in the edge Fe chains of the stripes composed of three, five, and seven chains have saturated values of 2.97 or 2.98 ${\mu}_B$, and the values of the center chains are 2.82 ${\mu}_B$ which is similar to that of 2D square lattice. The charge and spin density contour plots showed that the flat distribution in the edge region of the stripes, and it is due to the spilled out p-electrons from the atoms in the edge line. The calculated density of states for the edge atoms in the stripes with seven Fe chains showed that the narrowed width compared to that of center atoms due to the band narrowing effect at the edge.

Recognition of Special Vehicles Using Roof Marks (루프 마크를 이용한 특수차량 인식)

  • Kim, Seok-Young;Lee, Jaesung
    • Proceedings of the Korean Institute of Information and Commucation Sciences Conference
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    • 2016.10a
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    • pp.293-296
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    • 2016
  • In case of an emergency on a busy road of a city, drivers should make way for special vehicles such as police cars, fire engines, or ambulance as soon as possible. If road infrastructures recognize the movements of special vehicles, and transfer alert message to traffic signal controllers and normal cars through wireless network such as WAVE or TPEG, normal cars can prepare to make way in advance. As a result, it help special vehicles move faster. In this paper, we install a roof mark on the roof of a special vehicle, detect the mark through a mark recognition algorithm which includes perspective transformation, and get the inner information by decoding the digital pattern on it. The experiment results show that mark can be recognized 100% and 93.3% of inner digital data of the mark can be recognized, when the size of a mark is larger than $88cm{\times}88cm$ and the mark moves at a speed of 50km/s.

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