• Bulletin of the Korean Chemical Society
• /
• 제14권4호
• /
• pp.476-480
• /
• 1993

The ab initio calculations were performed on ClO and $ClO^+$ using the configuration interaction and M${\phi}$ller-Plesset methods of several different levels of approximation. Three different basis sets, 66 contracted Gaussian-type orbitals,6-31$G^*$ and 6-311$G^*$, were employed in this calculation. The results of calculation were compared with the experimental values of ClO. The values from the calculation with 66cGTO basis set gave excellent agreement with the experimental values. The spectroscopic constants of $ClO^+$ were also predicted.

• Transactions on Electrical and Electronic Materials
• /
• 제13권4호
• /
• pp.196-199
• /
• 2012

CdS thin film was prepared on glass substrate by chemical bath deposition in an alkaline solution. The optical properties of CdS thin film were investigated using spectroscopic ellipsometry. The real (${\varepsilon}_1$) and imaginary (${\varepsilon}_2$) parts of the complex dielectric function ${\varepsilon}(E)={\varepsilon}_1(E)+i{\varepsilon}_2(E)$, the refractive index n(E), and the extinction coefficient k(E) of CdS thin film were obtained from spectroscopic ellipsometry. The normal-incidence reflectivity R(E) and absorption coefficient ${\alpha}(E)$ of CdS thin film were obtained using the refractive index and extinction coefficient. The critical points $E_0$ and $E_1$ of CdS thin film were shown in spectra of the dielectric function and optical constants of refractive index, extinction coefficient, normal-incidence reflectivity, and absorption coefficient. The dispersion of refractive index was analyzed by the Wemple-DiDomenico single-oscillator model.

• 한국광학회지
• /
• 제12권6호
• /
• pp.472-478
• /
• 2001

가변입사각 분광타원법(Variable Angle Spectroscopic Ellipsometry)을 사용하여 유기발광소자(OLED)의 발광층인 유기박막 의 광학상수와 두께를 결정하였다. 광투과영역에서 모델링분석으로 박막의 평균두께와 굴절률 분산식을 결정하고, 광흡수영역으로 확장하여 유기막의 다층구조, 각 층의 두께와 밀도 그리고 각 파장에서의 복소굴절률을 결정하였다. 분광광도계를 사용하여 구한 투과율 스펙트럼을 가변입사각 분광타원법을 사용하여 결정한 다층구조 및 복소굴절률로 계산한 투과율 스펙트럼과 비교하여 분석의 정확성을 확인하였다.

• Bulletin of the Korean Chemical Society
• /
• 제10권4호
• /
• pp.377-381
• /
• 1989

The spectroscopic properties of $FO^+$ and FO were investigated by ab initio calculation. Several different levels of theory, $MP3/6-31G^*,\;MP4/6-311G^*\;and\;CISD/6-31G^*$, were tried and compared with experimental results of FO. In the overall performance the CISD showed the best agreement. Based on these results the spectroscopic constants of $FO^+$ are predicted.

• 한국광학회:학술대회논문집
• /
• 한국광학회 2001년도 하계학술발표회
• /
• pp.46-47
• /
• 2001

• 방사성폐기물학회지
• /
• 제20권4호
• /
• pp.371-382
• /
• 2022

Carbonates are inorganic ligands that are abundant in natural groundwater. They strongly influence radionuclide mobility by forming strong complexes, thereby increasing solubility and reducing soil absorption rates. We characterized the spectroscopic properties of Am(III)-carbonate species using UV-Vis absorption and time-resolved laser-induced fluorescence spectroscopy. The deconvoluted absorption spectra of aqueous Am(CO₃)₂^- and Am(CO₃)₃^3- species were identified at red-shifted positions with lower molar absorption coefficients compared to the absorption spectrum of aqua Am³⁺. The luminescence spectrum of Am(CO₃)₃^3- was red-shifted from 688 nm for Am³⁺ to 695 nm with enhanced intensity and an extended lifetime. Colloidal Am(III)-carbonate compounds exhibited absorption at approximately 506 nm but had non-luminescent properties. Slow formation of colloidal particles was monitored based on the absorption spectral changes over the sample aging time. The experimental results showed that the solubility of Am(III) in carbonate solutions was higher than the predicted values from the thermodynamic constants in OECD-NEA reviews. These results emphasize the importance of kinetic parameters as well as thermodynamic constants to predict radionuclide migration. The identified spectroscopic properties of Am(III)-carbonate species enable monitoring time-dependent species evolution in addition to determining the thermodynamics of Am(III) in carbonate systems.

• 한국안광학회지
• /
• 제12권1호
• /
• pp.85-90
• /
• 2007

안경렌즈의 무반사 코팅물질로 사용되는 황화아연(Zinc Sulphide : ZnS)의 단일박막을 실리콘과 슬라이드 유리 기판위에 스핀코팅방법으로 증착하였다. 박막 증착 후 변입사각분광타원계(VASE : Variable Angle Spectroscopic Ellipsometer)를 사용하여 1.5~5.0 eV 광 에너지 영역에서 타원 각(ellipsometry angle) ${\Delta}$, ${\Psi}$를 측정하였다. 이 측정결과들을 Jellison Modine 분산관계식을 사용하여 최적맞춤하고, 매개변수들을 구하여 박막의 광학상수인 굴절계수 $n({\lambda})$와 소광계수 $k({\lambda})$를 결정하였다.

• 한국광학회:학술대회논문집
• /
• 한국광학회 2004년도 하계학술발표회
• /
• pp.226-227
• /
• 2004

• 한국안광학회지
• /
• 제10권4호
• /
• pp.267-272
• /
• 2005

유기발광물질 $Alq_3$(alumina quinoline)의 단일박막을 열 증착(thermal evaporation)방법에 의하여 실리콘(c-Si)기판과 슬라이드유리(slide glass) 기판위에 제작하였다. 박막 제작 후 가변입사각운광타원계(VASE : Variable Angle Spectroscopic Ellipsometer)를 사용하여 1.50~5.0 eV 광 에너지 영역에서 타원 각(ellipsometry angle) ${\Delta}$, ${\Psi}$를 측정하였다. 이 측정결과들을 Jellison Modine 분산관계식을 사용하여 최적맞춤하고, 매개변수들을 구하여 박막의 광학상수인 굴절계수와 소광계수를 결정하였다. 결정한 광학상수의 정확성올 확인하기 위하여 투과율을 전산 시늉하고, 흡수계수(absorption coefficient)와 분광광도계로 측정한 흡광도(absorbance)의 스펙트럼 비교로 분석의 정확성을 확인하였다.

• 대한전기학회:학술대회논문집
• /
• 대한전기학회 1994년도 추계학술대회 논문집 학회본부
• /
• pp.240-242
• /
• 1994

Spectroscopic ellipsometry(SE) was employed to characterize the Si/$Si_{1-x}Ge_x$ heterostructure. The dielectric function spectrum of $Si_{1-x}Ge_x$ at an arbitrary x value in the spectral range of $1.5{\sim}4.5\;eV$ was computed by EMA (effective medium approximation) model using the available optical constants measured at a number of fixed x values of Ge composition. The thickness and the Ge composition of $Si_{1-x}Ge_x$ measured by SE was compared with those measured by RBS. DC bias effect on the $E_2$ peak of dielectric function spectra was studied.