• Title/Summary/Keyword: Density of states

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Electronic Structure of Ce-doped ZrO2 Film: Study of DFT Calculation and Photoelectron Spectroscopy

  • Jeong, Kwang Sik;Song, Jinho;Lim, Donghyuck;Kim, Hyungsub;Cho, Mann-Ho
    • Applied Science and Convergence Technology
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    • v.25 no.1
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    • pp.19-24
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    • 2016
  • In this study, we evaluated the change of electronic structure during redox process in cerium-doped $ZrO_2$ grown by sol gel method. By sol-gel method, we could obtain cerium-doped $ZrO_2$ in high oxygen partial pressure and low temperature. After post annealing process in nitrogen ambient, the film is deoxidized. We used spectroscopic and theoretical methods to analysis change of electronic structure. X-ray absorption spectroscopy (XAS) for O K1-edge and Density Functional Theory (DFT) calculation using VASP code were performed to verify the electronic structure of the film. Also, high resolution x-ray photoelectron spectroscopy (HRXPS) for Ce 3d was carried out to confirm chemical bond of cerium doped $ZrO_2$. Through the investigation of the electronic structure, we verified as followings. (1) During reduction process, binding energy of oxygen is increase. Simultaneously, oxidation state of cerium was change to 4+ to 3+. (2) Cerium 4+ and cerium 3+ states were generated at different energy level. (3) Absorption states in O K edge were mainly originated by Ce 4+ $f_0$ and Ce 3+, while occupied states in valance band were mainly originated from Ce 4+ $f_2$.

Calculation of the Magnitude of the Coulomb Correlation and Magnetic Moment of Cr2Te3 (Cr2Te3에서 쿨롱 상관효과의 크기와 자기모멘트 크기의 계산)

  • Youn, Suk-Joo;Kwon, Se-Kyun
    • Journal of the Korean Magnetics Society
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    • v.16 no.2
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    • pp.115-120
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    • 2006
  • Electronic and magnetic structure of $Cr_2Te_3$ have been studied, which is a material with complex magnetic structure. Density of states and magnetic moments show better agreement with experiments than LDA if they are obtained with the correlation effect of Cr-d electrons taken into account by the LDA+U method. In these calculations, the magnitude of the correlation effect is found to be 1.7 eV. It is shown that the magnitude of experimental magnetic moments of Cr atoms can be explained if the ferromagnetic states and the ferrimagnetic states have the same energy to be degenerate.

Characterization of Electrical Properties of Si Nanocrystals Embedded in a SiO$_{2}$ Layer by Scanning Probe Microscopy (Scanning Probe Microscopy를 이용한 국소영역에서의 실리콘 나노크리스탈의 전기적 특성 분석)

  • Kim, Jung-Min;Her, Hyun-Jung;Kang, Chi-Jung;Kim, Yong-Sang
    • The Transactions of the Korean Institute of Electrical Engineers C
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    • v.54 no.10
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    • pp.438-442
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    • 2005
  • Si nanocrystal (Si NC) memory device has several advantages such as better retention, lower operating voltage, reduced punch-through and consequently a smaller cell area, suppressed leakage current. However, the physical and electrical reasons for this behavior are not completely understood but could be related to interface states of Si NCs. In order to find out this effect, we characterized electrical properties of Si NCs embedded in a SiO$_{2}$ layer by scanning probe microscopy (SPM). The Si NCs were generated by the laser ablation method with compressed Si powder and followed by a sharpening oxidation. In this step Si NCs are capped with a thin oxide layer with the thickness of 1$\~$2 nm for isolation and the size control. The size of 51 NCs is in the range of 10$\~$50 m and the density around 10$^{11}$/cm$^{2}$ It also affects the interface states of Si NCs, resulting in the change of electrical properties. Using a conducting tip, the charge was injected directly into each Si NC, and the image contrast change and dC/dV curve shift due to the trapped charges were monitored. The results were compared with C-V characteristics of the conventional MOS capacitor structure.

The Effect of Integrated Recreation Program on Mood State, Flexibility and Stress of Elderly Women (통합 레크리에이션 프로그램이 여성 노인의 기분상태, 유연성 및 스트레스에 미치는 영향)

  • Park, In-Sook;Kim, Nam Cho
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.17 no.6
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    • pp.70-80
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    • 2016
  • This study was conducted to investigate the effects of an integrated recreation program on mood states, flexibility, and stress of elderly women. The integrated recreation program was applied to dance as a physical activity and songs and art as emotional activities in consideration of the characteristics of the elderly activities. The subjects were 50 elderly women aged 65 years or older who reside in K-do. The examination period was December 2 in 2014 to February 17 in 2015, during which time mood states, flexibilities, density of the salivary cortisol, variations in heartbeats, and stress were measured. The integrated recreation program had positive effects on mood, flexibility and stress reduction in elderly women. Based on these results, the integrated recreation program is considered to increase mood states and flexibility of elderly women while lowering stress. Therefore, the integrated recreation program developed in this study not only helps the physical and mental health of elderly women, but can also be widely utilized as a health promotion program for the elderly.

Survival Analysis for White Non-Hispanic Female Breast Cancer Patients

  • Khan, Hafiz Mohammad Rafiqullah;Saxena, Anshul;Gabbidon, Kemesha;Stewart, Tiffanie Shauna-Jeanne;Bhatt, Chintan
    • Asian Pacific Journal of Cancer Prevention
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    • v.15 no.9
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    • pp.4049-4054
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    • 2014
  • Background: Race and ethnicity are significant factors in predicting survival time of breast cancer patients. In this study, we applied advanced statistical methods to predict the survival of White non-Hispanic female breast cancer patients, who were diagnosed between the years 1973 and 2009 in the United States (U.S.). Materials and Methods: Demographic data from the Surveillance Epidemiology and End Results (SEER) database were used for the purpose of this study. Nine states were randomly selected from 12 U.S. cancer registries. A stratified random sampling method was used to select 2,000 female breast cancer patients from these nine states. We compared four types of advanced statistical probability models to identify the best-fit model for the White non-Hispanic female breast cancer survival data. Three model building criterion were used to measure and compare goodness of fit of the models. These include Akaike Information Criteria (AIC), Bayesian Information Criteria (BIC), and Deviance Information Criteria (DIC). In addition, we used a novel Bayesian method and the Markov Chain Monte Carlo technique to determine the posterior density function of the parameters. After evaluating the model parameters, we selected the model having the lowest DIC value. Using this Bayesian method, we derived the predictive survival density for future survival time and its related inferences. Results: The analytical sample of White non-Hispanic women included 2,000 breast cancer cases from the SEER database (1973-2009). The majority of cases were married (55.2%), the mean age of diagnosis was 63.61 years (SD = 14.24) and the mean survival time was 84 months (SD = 35.01). After comparing the four statistical models, results suggested that the exponentiated Weibull model (DIC= 19818.220) was a better fit for White non-Hispanic females' breast cancer survival data. This model predicted the survival times (in months) for White non-Hispanic women after implementation of precise estimates of the model parameters. Conclusions: By using modern model building criteria, we determined that the data best fit the exponentiated Weibull model. We incorporated precise estimates of the parameter into the predictive model and evaluated the survival inference for the White non-Hispanic female population. This method of analysis will assist researchers in making scientific and clinical conclusions when assessing survival time of breast cancer patients.

Half-metallicity and Magnetism of Co2ZrSi/ZnTe(001) Interface: A First-principles Study (Co2ZrSi/ZnTe(001)계면의 자성과 반쪽금속성에 대한 제일원리 연구)

  • Jin, Y.J.;Lee, J.I.
    • Journal of the Korean Magnetics Society
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    • v.17 no.4
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    • pp.147-151
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    • 2007
  • We have investigated the half-metallicity and magnetism for the Heusler ferromagnet $Co_2$ZrSi interfaced with semiconductor ZnTe along the (001) plane by using the full-potential linearized augmented plane wave (FLAPW) method. We considered low types of possible interfaces: ZrSi/Zn, ZrSi/Te, Co/Zn, and Co/Te, respectively. From the calculated density of states, it was found that the half-metallicity was lost at all the interfaces, however for the Co/Te system the value of minority spin density of states was close to zero at the Fermi level. These facts are due to the interface states, appeared in the minority spin gap in bulk $Co_2$ZrSi, caused by the changes of the coordination and symmetry and the hybridizations between the interface atoms. At the Co/Te interface, the magnetic moments of Co atoms are 0.68 and $0.78{\mu}_B$ for the "bridge" and "antibridge" sites, respectively, which are much reduced with respect to that ($1.15{\mu}_B$) of the bulk $Co_2$ZrSi. In the case of Co/Zn, Co atoms at the "bridge" and "antibridge" sites have magnetic moments of 1.16 and $0.93{\mu}_B$, respectively, which are almost same or slightly decreased compared to that of the bulk $Co_2$ZrSi. On the other hand, for the ZrSi/Zn and ZrSi/Te systems, the magnetic moments of Co atoms at the sub-interface layers are in the range of $1.13{\sim}1.30\;{\mu}_B$, which are almost same or slightly increased than that of the bulk $Co_2$ZrSi.

Effect of Aluminum on Nitrogen Solubility in Zinc Oxide: Density Functional Theory (산화 아연에서의 질소 용해도에 대한 알루미늄의 효과 : 밀도 범함수 이론)

  • Kim, Dae-Hee;Lee, Ga-Won;Kim, Yeong-Cheol
    • Korean Journal of Materials Research
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    • v.21 no.12
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    • pp.639-643
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    • 2011
  • Zinc oxide as an optoelectronic device material was studied to utilize its wide band gap of 3.37 eV and high exciton biding energy of 60 meV. Using anti-site nitrogen to generate p-type zinc oxide has shown a deep acceptor level and low solubility. To increase the nitrogen solubility in zinc oxide, group 13 elements (aluminum, gallium, and indium) was co-added to nitrogen. The effect of aluminum on nitrogen solubility in a $3{\times}3{\times}2$ zinc oxide super cell containing 72 atoms was investigated using density functional theory with hybrid functionals of Heyd, Scuseria, and Ernzerhof (HSE). Aluminum and nitrogen were substituted for zinc and oxygen sites in the super cell, respectively. The band gap of the undoped super cell was calculated to be 3.36 eV from the density of states, and was in good agreement with the experimentally obtained value. Formation energies of a nitrogen molecule and nitric oxide in the zinc oxide super cell in zinc-rich conditions were lower than those in oxygen-rich conditions. When the number of nitrogen molecules near the aluminum increased from one to four in the super cell, their formation energies decreased to approach the valence band maximum to some degree. However, the acceptor level of nitrogen in zinc oxide with the co-incorporation of aluminum was still deep.

Spatiotemporal behavior of excited Xe atoms density in Counter discharged type AC-PDP

  • Hong, Young-June;Oh, Phil-Yong;Jeong, Se-Hoon;Hong, Jong-Hwa;Kim, Jung-Hyun;Gyu, Yong;Cho, Seok-Ho;Hong, Sung-Hee;Hong, Byoung-Hee;Choi, Eun-Ha
    • 한국정보디스플레이학회:학술대회논문집
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    • 2007.08a
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    • pp.574-577
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    • 2007
  • We have measured the excited Xe atoms density in the $1s_5$ metastable states by laser absorption spectroscopy in counter discharged type AC-PDP. This experiment has shown the characteristic of the excited Xe atoms density which is relation to the visible light efficiency of PDP. The density of counter discharged AC-PDP have measured to be $9.47\;{\times}\;10^{13}\;cm{-3}$. The result has been shown to higher value than $1.45\;{\times}\;10^{13}\;cm^{-3}$ of conventional AC-PDP.

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Structural, Optical and Photoconductive Properties of Chemically Deposited Nanocrystalline CdS Thin Films

  • Park, Wug-Dong
    • Transactions on Electrical and Electronic Materials
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    • v.12 no.4
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    • pp.164-168
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    • 2011
  • Nanocrystalline cadmium sulphide (CdS) thin films were prepared using chemical bath deposition (CBD), and the structural, optical and photoconductive properties were investigated. The crystal structure of CdS thin film was studied by X-ray diffraction. The crystallite size, dislocation density and lattice constant of CBD CdS thin films were investigated. The dislocation density of CdS thin films initially decreases with increasing film thickness, and it is nearly constant over the thickness of 2,500 ${\AA}$. The dislocation density decreases with increasing the crystallite size. The Urbach energies of CdS thin films are obtained by fitting the optical absorption coefficient. The optical band gap of CdS thin films increases and finally saturates with increasing the lattice constant. The Urbach energy and optical band gap of the 2,900 A-thick CdS thin film prepared for 60 minutes are 0.24 eV and 2.83 eV, respectively. The activation energies of the 2,900 ${\AA}$-thick CdS thin film at low and high temperature regions were 14 meV and 31 meV, respectively. It is considered that these activation energies correspond to donor levels associated with shallow traps or surface states of CdS thin film. Also, the value of ${\gamma}$ was obtained from the light transfer characteristic of CdS thin film. The value of ${\gamma}$ for the 2,900 A-thick CdS thin film was 1 at 10 V, and it saturates with increasing the applied voltage.

Corrosion Level Measurement Technique for RC Reinforcement Using Non-Destructive Test Methods (비파괴기법을 이용한 철근 콘크리트 벽체 철근의 부식률 예측기법)

  • Roh, Young-Sook
    • Journal of the Korean Society for Nondestructive Testing
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    • v.31 no.1
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    • pp.24-31
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    • 2011
  • In order to measure corrosion level of reinforcement rebar in RC structures, non-destructive test methods which are concrete surface current density method and infrared thermographic technique were employed to measure corrosion levels. Experimental test parameters were various levels of corrosion states(0, 1, 3, 5, 7% of weight loss) and concrete cover depth(30 mm, 40 mm) and two different reinforcing rebar arrangements. The larger amount of concrete surface current density, the higher corrosion level in reinforcement rebar. The laboratory conditions which are ambient temperature and humidity have negligible effect on the infrared thermographical data. After analysis of current density and temperature distribution from concrete surface, corrosion level of reinforcement rebar embedded in concrete can be measured qualitatively based on the amount of electric current and heat flux.