• E2M - 전기 전자와 첨단 소재
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• 제10권10호
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• pp.1005-1010
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• 1997

ZnS:Mn thin film was made by coevaporation with Electron Beam Evaparation(EBE) method. And structural and optical characteristics of ZnS:Mn thin films were investigated by substrate temperature annealing temperature and dopant Mn. When ZnS:Mn thin film was well deposited with cubic crystalline at substrate temperature of 30$0^{\circ}C$ its surface index was [111] and its lattice constant of a was 5.41$\AA$. Also When ZnA:Mn thin film was well made with hexagonal crystalline at substrate temperature of 30$0^{\circ}C$annealing temperature of 50$0^{\circ}C$and annealing time of 60min its miller indices were (0002) (1011), (1012) and (1120). And its lattice constant of a and c was 3.88$\AA$and 12.41$\AA$ respectively. Finally hexagonal ZnS:Mn thin film with dopant Mn of 0.5wt% had fundamental absorption wavelength of 342nm. And so its energy bandgap was about 3.62eV.

• 한국정밀공학회:학술대회논문집
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• 한국정밀공학회 2002년도 춘계학술대회 논문집
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• pp.652-655
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• 2002

The embedded atom method based on the density functional theory is used for calculating ground state properties of realistic metal systems. In this paper, we had corrected constitutive formulae and parameters on the palladium for the purpose of doing Embedded Atom Method analysis. And then we have computed the properties of the palladium on the fundamental scale of the atomic structure. In result, simulated ground state properties, such as the lattice constant, elastics constants and the sublimation energy, show good agreement with Daw's simulation data and with experimental data.

• 한국정밀공학회:학술대회논문집
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• 한국정밀공학회 1997년도 추계학술대회 논문집
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• pp.572-575
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• 1997

The embedded atom method based on density functional theory was developed as a new means for calculating ground state properties of realistic metal system by Murray S. Daw, Stephen M. Foiles and Michael I. Baskes. In the paper, we had corrected constitutive formulae and parameters on the nickel for the purpose of doing Embedded Atom Method analysis. And then we have computed the properties of the nickel on the fundamental scale of the atomic structure. In result, simulated ground state properties, such as the lattice constant, elastics constants and sublimation energy, show good agreement with Daw's simulation data and with experimental data.

• 대한화학회지
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• 제53권6호
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• pp.663-670
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• 2009

논랜덤 혼합의 2-성분 격자용액에서 특정상호작용을 갖는 경우의 수에 대한 분포를 난수 모의실험을 통하여 구하였다. 이 분포로부터 2-성분격자용액의 과잉깁스에너지 $G^E$에 대한 근사식을 유도하였다. 이 식을 사용하여 15개의 2-성분용액에 대한 일정압력에서의 액체-증기 상평형 계산을 하였고 Wilson식, Van Laar식, Redlich-Kister식의 계산 결과와 비교하여 보았다.

• Nuclear Engineering and Technology
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• 제7권2호
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• pp.107-118
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• 1975

천이금속을 구성하고 있는 성분 이온을 변형가능한 이온으로 취급함으로써 크로미움, 몰리브데늄 및 텅스텐의 격자진동을 전자각 모텔에 외해 수식화했다. 이 모델은 전하에 대한 두 변수와 다섯 개의 힘상수를 모두 합쳐 7개의 모텔상수를 포함하고 있으며 이들의 수치는 금속의 탄성 계수에 관한 자료와 중성자 산란 실험에 의해 측정된 격자진동의 특성 주파수 값과 일치하도록 하여 결정했다. 한편 전자각 모델은 Cr, Mo 및 W등 세 금속의 성파 확산곡선, 주파수 분포함수 및 비열을 계산하는데 응용하였고 그 결과를 실험치와 비교하였다. 이로부터 전자각 모델로도 천이금속의 격자진동에 대한 특성을 만족스럽게 설명할 수 있다는 것을 알아내었다. 또한 다른 격자 모델과의 비교를 통하여 전자각 모델의 유용성을 검토했다.

• 한국전기전자재료학회논문지
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• 제15권1호
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• pp.24-29
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• 2002

In this paper, the microstructure and the dielectric properties of Sr$\_$1-x/CaxTiO$_3$(0$\leq$x$\leq$0.2)-based grain boundary layer ceramics were investigated. The sintering temperature and time were 1420∼152 0$\^{C}$ and 4 hours in N$_2$ gas, respectively. The average grain size and the lattice constant were decreased with increasing content of Ca, but the average grain size was increased with increase of sintering temperature. The second phase foamed by the thermal diffusion of CuO from the surface leads to verb high apparent dielectric constant, $\xi$$\_$r/>50000 and low dielectric loss, tan$\delta$<0.05. X-ray diffraction patterns of Sr$\_$1-x/CaxTiO$_3$ exhibited cubic structure, and the peaks shifted upward and the peak intensity were decreased with x. This is due to the lattice contraction as Sr is replaced by Ca with a smaller ionic radius. The specimens treated thermal diffusion for 2hrs in 1150$\^{C}$ exhibited nonlinear current-voltage characteristic, and its nonlinear coefficient(a) was overt 7.

• E2M - 전기 전자와 첨단 소재
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• 제7권5호
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• pp.403-408
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• 1994

Dielectric and structural properties of $Ba_{1-x}$(Z $n_{1}$3/T $a_{2}$3/) $O_{3}$+1 mol% Mn $O_{2}$ (x=0, 0.01, 0.02, 0.03, 0.04) ceramics was investigated at microwave frequencies. With $Ba_{+2}$ shortage, the sinterability and the unloaded Q( $Q_{u}$) were much improved, and the ordering in B site and the lattice distortion was greatly enhanced and the structure approached the completely ordered structure. $Q_{u}$ was strongly correlated with these factors such as ordering ratio, lattice distortion and sinterability, and had the maximum value of 7500 at x=0.01. The dielectric constant was near 30 and the temperature coefficient of the resonant frequency was 2 ppm/.deg. C at x=0.01.1.1.1.

• 한국전기전자재료학회:학술대회논문집
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• 한국전기전자재료학회 2001년도 하계학술대회 논문집
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• pp.697-700
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• 2001

In this paper, the structural and electrical properties of the Sr$_{1-x}$ Ca$_{x}$TiO$_3$ (0$\leq$x$\leq$0.2) (0$\leq$r$\leq$0.2)-based grain boundary layer ceramics were investigated by X-ray, SEM and V-I system. Increasing the Ca content, the average grain size and the lattice constant were decreased. The relative density of all specimens was >96%. The 2nd phase formed by thermal diffusing from the surface lead to a very excellent electrical properties, that is, $\varepsilon$$_{r}$>50000, tan$\delta$<0.05, $\Delta$C< $\pm$ 10%.\pm$ 10%.%.

• 한국전기전자재료학회:학술대회논문집
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• 한국전기전자재료학회 1998년도 추계학술대회 논문집
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• pp.331-334
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• 1998

Crystal structure and surface morphology of Se thin film fabricated by EBE method had been studied. Se thin film was deposited with amorphous structure until substrate temperature of l00$^{\circ}C$. But Se thin film was grown with monoclinic structure at substrate temperature af over 150$^{\circ}C$, and its lattice constant of a, b and c was 12.76${\AA}$, 9.15${\AA}$ and 10.41${\AA}$ respectively. Also, after heat-treatment at 150。 for 15 min with substrate temperature of l00。, amorphous Se was proved to be hexagonal structure, and its lattice constant of a and c was 4.27${\AA}$ and 4.83${\AA}$ respectively.

• 한국세라믹학회지
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• 제33권10호
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• pp.1131-1137
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• 1996

The dielectric properties and phase stabilities of Pb(Zn0.6Mg0.4)1/3Nb2/3O3 [PZMN]system were investigated into substitution of A-site with Ba, Sr and Ca ions. The A-site substitutions led to the complexity of components of perovskite phase and then DPT coefficient increased. The A-site substitutions of Ba or Sr ion perovskite single phase could be easily formed by columbite process due to increase of perovskite phase stability. The variation of lattice parameters in specimen obeyed Vegard's law and curie temperature and dielectric constant of specimen decreased linearly. But Ca substitution led to perovskite phae instability. The lattice parameter dielectric constant and curie temperature of specimens drasticaly decreased with formation of pyrochlore phase.