• 한국전기전자재료학회논문지
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• 제23권2호
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• pp.128-132
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• 2010

Photonic crystal is dielectric materials or a set of different dielectric materials with periodic structure. Line defect is obtained by leaving out a row of rods along the $\Gamma$-X direction. We showed the change of group velocity in waveguide mode and found resultant small group velocity. Characteristics of the small group velocity were described by electric field distribution. Investigating the phase shift, it is confirmed if small group velocity is positive or negative.

• 반도체디스플레이기술학회지
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• 제7권2호
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• pp.45-48
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• 2008

An epitaxial $\beta-FeSi_2$ structure on Si (001) substrate was calculated by using density functional theory (DFT). Unit cell of orthorhombic $\beta-FeSi_2$ and $\sqrt{2}\times\sqrt{2}\times2$ supercell were calculated to find the energetically favorable structures first. The $\chi$- and y-direction axes of $\beta-FeSi_2$ were changed into y- and z-direction axes to match its structure with that of Si, to minimize the lattice mismatch between $\beta-FeSi_2$ and Si. Distance between the Si (001) surface and the $\beta-FeSi_2$ surface was varied to find an optimum distance between them, resulting in 0.825 $\AA$.

• 한국자기학회지
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• 제5권5호
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• pp.442-446
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• 1995

Electronic structures of Fe overlayers on Cr(Fe/Cr) films, with an Fe coverage of $1-20{\AA}$, have been investigated by using photoemission spectroscopy. Experimental results are compared with supercell band structure calculations for a system with monolayer (ML) Fe on each side of five layer Cr, Fe(1ML)/Cr(5ML)/Fe(1ML). The extracted Fe 3d partial spectral weight in Fe/Cr exhibits very interesting features for very thin Fe overlayers. First, a sharp emissionnear the Fermi energy is observed, which is expected to originate primarily from hybridization between Fe and Cr 3d electrons at the Fe/Cr interface, and partially from the Fe 3d surface states in the Fe overlayer. Second, other structures are observed at higher binding energies which resemble the Cr 3d valence bands, also suggesting large hybridization between Fe and Cr 3d states at the Fe/Cr interface. These conjectures are confirmed by band structure calculations for Fe(1ML)/Cr(5ML)/Fe(1ML).

• Applied Microscopy
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• 제49권
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• pp.1.1-1.10
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• 2019

Joints of three-dimensional (3D) rutile-type (r) tin dioxide ($SnO_2$) nanowire networks, produced by the flame transport synthesis (FTS), are formed by coherent twin boundaries at $(101)^r$ serving for the interpenetration of the nanowires. Transmission electron microscopy (TEM) methods, i.e. high resolution and (precession) electron diffraction (PED), were utilized to collect information of the atomic interface structure along the edge-on zone axes $[010]^r$, $[111]^r$ and superposition directions $[001]^r$, $[101]^r$. A model of the twin boundary is generated by a supercell approach, serving as base for simulations of all given real and reciprocal space data as for the elaboration of three-dimensional, i.e. relrod and higher order Laue zones (HOLZ), contributions to the intensity distribution of PED patterns. Confirmed by the comparison of simulated and experimental findings, details of the structural distortion at the twin boundary can be demonstrated.

• 한국재료학회지
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• 제18권12호
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• pp.673-677
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• 2008

Calcia (CaO) stabilized cubic-$HfO_2$ is studied by density functional theory (DFT) with generalized gradient approximation (GGA). When a Ca atom is substituted for a Hf atom, an oxygen vacancy is produced to satisfy the charge neutrality. The lattice parameter of a $2{\times}2{\times}2$ cubic $HfO_2$ supercell then increases by $0.02\;{\AA}$. The oxygen atoms closest to the oxygen vacancy are attracted to the vacancy as the vacancy is positive compared to the oxygen ion. When the oxygen vacancy is located at the site closest to the Ca atom, the total energy of $HfO_2$ reaches its minimum. The energy barriers for the migration of the oxygen vacancy were calculated. The energy barriers between the first and the second nearest sites, the second and the third nearest sites, and the third and fourth nearest sites are 0.2, 0.5, and 0.24 eV, respectively. The oxygen vacancies at the third and fourth nearest sites relative to the Ca atom represent the oxygen vacancies in undoped $HfO_2$. Therefore, the energy barrier for oxygen migration in the $HfO_2$ gate dielectric is 0.24 eV, which can explain the origin of gate dielectric leakage.

• Bulletin of the Korean Chemical Society
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• 제35권7호
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• pp.2013-2018
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• 2014

The adsorption and decomposition of trimethylene oxide ($C_3H_6O$) molecule on the Al(111) surface were investigated by the generalized gradient approximation (GGA) of density functional theory (DFT). The calculations employed a supercell ($6{\times}6{\times}3$) slab model and three-dimensional periodic boundary conditions. The strong attractive forces between $C_3H_6O$ molecule and Al atoms induce the C-O bond breaking of the ring $C_3H_6O$ molecule. Subsequently, the dissociated radical fragments of $C_3H_6O$ molecule oxidize the Al surface. The largest adsorption energy is about -260.0 kJ/mol in V3, V4 and P2, resulting a ring break at the C-O bond. We also investigated the decomposition mechanism of $C_3H_6O$ molecules on the Al(111) surface. The activation energies ($E_a$) for the dissociations V3, V4 and P2 are 133.3, 166.8 and 174.0 kJ/mol, respectively. The hcp site is the most reactive position for $C_3H_6O$ decomposing.

• 디지털융복합연구
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• 제13권7호
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• pp.367-372
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• 2015

스마트폰 게임시장은 스마트폰이 시장에 나타나고 얼마 되지 않아 엄청난 속도로 발전하며 세대교체가 일어나고 있다. 일반적으로 스마트폰 게임은 수명이 짧지만 Supercell 사의 클래시 오브 클랜은 2년 넘는 시간동안 꾸준한 인기를 얻고 있다. 그렇기 때문에 클래시 오브 클랜이 가지는 가장 특징적인 게임 요소인 수성과 약탈을 주제로 잡아 재미요인을 분석하였다. 수성과 약탈 요소를 분석하기 위해서 클래시 오브 클랜과 다른 형태의 수성과 약탈 요소를 가진 게임인 도둑의 왕을 사례로 하였다. 두 가지의 사례를 라프 코스터의 재미이론에 따라 준비, 공간감, 정연한 핵심구조, 일련의 도전, 대결을 위해 필요한 능력, 능력을 사용하기 위한 기술로 분석하여 수성과 약탈 요소의 재미 요인을 알아 보았다.

• 대기
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• 제25권4호
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• pp.611-622
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• 2015

Heavy rainfall ($>30mm\;hr^{-1}$) over the Korean Peninsula is examined in order to understand thermo-dynamic characteristics of the atmosphere, using radiosonde observational data from seven upper-air observation stations during the last 17 years (1997~2013). A total of 82 heavy rainfall cases during the summer season (June-August) were selected for this study. The average values of thermo-dynamic indices of heavy rainfall events are Total Precipitable Water (TPW) = 60 mm, Convective Available Potential Energy (CAPE) = $850J\;kg^{-1}$, Convective Inhibition (CIN) = $15J\;kg^{-1}$, Storm Relative Helicity (SRH) = $160m^2s^{-2}$, and 0~3 km bulk wind shear = $5s^{-1}$. About 34% of the cases were associated with a Changma front; this pattern is more significant than other synoptic pressure patterns such as troughs (22%), migratory cyclones (15%), edges of high-pressure (12%), typhoons (11%), and low-pressure originating from Changma fronts (6%). The spatial distribution of thermo-dynamic conditions (CAPE and SRH) is similar to the range of thunderstorms over the United States, but extreme conditions (supercell thunderstorms and tornadoes) did not appear in the Korean Peninsula. Synoptic conditions, vertical buoyancy (CAPE, CIN), and wind parameters (SRH, shear) are shown to discriminate among the environments of the three types. The first type occurred with high CAPE and low wind shear by the edge of the high pressure pattern, but Second type is related to Changma front and typhoon, exhibiting low CAPE and high wind shear. The last type exhibited characteristics intermediate between the first and second types, such as moderate CAPE and wind shear near the migratory cyclone and trough.

• 한국자기학회지
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• 제18권6호
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• pp.211-216
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• 2008

Si이 체심입방구조(body centered cubic; bcc) Fe에 불순물로 포함된 경우에 Fe의 전자구조와 자성에 미치는 영향을 스핀-궤도 상호작용(spin-orbit coupling, SOC)을 고려한 제일원리방법을 통하여 연구하였다. Si 불순물의 효과를 기술하기 위하여 27개의 원자가 포함된 bcc Fe 초격자 구조를 고려하였다. 제일원리방법은 전전자 총퍼텐셜선형보강평면파(all-electron full-potential linearized augmented plane wave, FLAPW) 방법을 일반기울기 근사(generalized gradient approximation, GGA) 하에서 계산하였다. 스핀-궤도 상호작용은 스핀대각항 만을 고려한 이차변분방법을 이용하여 자체충족적으로 계산하였다. SOC를 고려하지 않은 강자성(ferromagnetic, FM) 상태의 경우 Si 불순물의 경우에는 $-0.143{\mu}B$의 스핀 자기모멘트가 계산되었으며, Fe 원자가 Si 불순물에서 멀어지면서 각각 $2.214{\mu}B$, $2.327{\mu}B$, 및 $2.354{\mu}B$의 값을 얻었다. 그러나, SOC를 고려한 경우 Si 불순물의 스핀 자기모멘트는 $-0.144{\mu}B$로 계산되어 SOC의 효과가 크지 않았으나, Fe 원자의 경우 각각 $2.189{\mu}B$, $2.310{\mu}B$, 및 $2.325{\mu}B$로 계산되어 SOC를 고려한 경우 스핀 자기모멘트 값이 줄어드는 것을 알 수 있었다. 총전하 및 스핀밀도의 비교와 상태밀도의 비교를 통하여 이러한 현상은 Si 불순물에 의한 영향을 가리는데 참여하는 Fe 원자의 $t_{2g}$ 전자 궤도의 변형의 효과로서 SOC를 고려할 때만 얻을 수 있다.