• Title/Summary/Keyword: band gap

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Optical Properties and Thermodynamic Function Properties of Undoped and Co-Doped $Zn_{0.5}Cd_{0.5}Al_{2}Se_{4}$ Single Crystals ($Zn_{0.5}Cd_{0.5}Al_{2}Se_{4}$$Zn_{0.5}Cd_{0.5}Al_{2}Se_{4}$:$Co^{2+}$ 단결정의 광학적 특성과 열역학 함수 추정)

  • Hyun, Seung-Cheol;Park, Hjung;Park, Kwang-Ho;Oh, Seok-Kyun;Kim, Hyung-Gon;Kim, Nam-Oh
    • The Transactions of the Korean Institute of Electrical Engineers C
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    • v.52 no.7
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    • pp.275-281
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    • 2003
  • $Zn_{0.5}Cd_{0.5}Al_{2}Se_{4}$ and $Zn_{0.5}Cd_{0.5}Al_{2}Se_{4}$:$Co^{2+}$ single crystals were grown by CTR method. The grown single crystals have defect chalcopyrite structure with lattice constant a=5.5966$\AA$, c=10.8042$\AA$ for the pure, a=5.6543$\AA$, c=10.8205$\AA$ for the Co-doped single crystal, respectively. The optical energy band gap was given as indirect band gap. The optical energy band gap was decreased according to add of Co-impurity Temperature dependence of optical energy band gap was fitted well to the Varshni equation. From this relation, we can deduced the entropy, enthalpy and heat capacity. Also, we can observed the Co-impurity optical absorption peaks assigned to the $Co^{2+}$ ion sited at the $T_{d}$ symmetry lattice and we consider that they were attributed to the electron transitions between energy levels of ions.

Tunable doping sites and the impacts in photocatalysis of W-N codoped anatase TiO2

  • Choe, Hui-Chae;Sin, Dong-Bin;Yeo, Byeong-Cheol;Song, Tae-Seop;Han, Sang-Su;Park, No-Jeong;Kim, Seung-Cheol
    • Proceedings of the Korean Vacuum Society Conference
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    • 2016.02a
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    • pp.246-246
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    • 2016
  • Tungsten-nitrogen (W-N) co-doping has been known to enhance the photocatalytic activity of anatase titania nanoparticles by utilizing visible light. The doping effects are, however, largely dependent on calcination or annealing conditions, and thus, the massive production of quality-controlled photocatalysts still remains a challenge. Using density functional theory (DFT) thermodynamics and time-dependent DFT (TDDFT) computations, we investigate the atomic structures of N doping and W-N co-doping in anatase titania, as well as the effect of the thermal processing conditions. We find that W and N dopants predominantly constitute two complex structures: an N interstitial site near a Ti vacancy in the triple charge state and the simultaneous substitutions of Ti by W and the nearest O by N. The latter case induces highly localized shallow in-gap levels near the conduction band minimum (CBM) and the valence band maximum (VBM), whereas the defect complex yielded deep levels (1.9 eV above the VBM). Electronic structures suggest that substitutions of Ti by W and the nearest O by N improves the photocatalytic activity of anatase by band gap narrowing, while defective structure degrades the activity by an in-gap state-assisted electron-hole recombination, which explains the experimentally observed deep level-related photon absorption. Through the real-time propagation of TDDFT (rtp-TDDFT), we demonstrate that the presence of defective structure attracts excited electrons from the conduction band to a localized in-gap state within a much shorter time than the flat band lifetime of titania. Based on these results, we suggest that calcination under N-rich and O-poor conditions is desirable to eliminate the deep-level states to improve photocatalysis.

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Investigation on the Origin of Band Gap in Heusler Alloy Co2MnSi through First-principles Electronic Structure Calculation (호이슬러 화합물 Co2MnSi에서 전자구조계산을 통한 에너지 간격의 원인에 대한 고찰)

  • Kim, Dong-Chul;Lee, Jae-Il
    • Journal of the Korean Magnetics Society
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    • v.18 no.6
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    • pp.201-205
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    • 2008
  • In order to investigate the origin of the band gap in the half-metallic Heusler alloy, $Co_2MnSi$, through the electronic structure calculation, we have calculated the electronic structures for the compounds consisted of parts of Heusler structures, i.e. zinc-blende CoMn, half-Heusler CoMnSi, and artificial $Co_2Mn$, using the full-potential first-principles band calculation method. By investigating the band hybridization and energy gap for the calculated density of states for these compounds, we found that the the origin of the band gap is not consistent with the explanation discussed by Galanakis et al. We have also discussed the magnetism for these compounds by the calculated number of majority- and minority-spin electrons.

Study on The lonzation Potential, Electron Affinity and Electrochemical Property of PBO and PVK using Cyclic Voltammetry and Constant Current Potentiometry (순환전압전류법과 일정전류전위차법을 이용한 PBD와 PVK의 이온화에너지, 전자친화도 및 전기화학적 특성에 관한 연구)

  • 형경우;최돈수
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.16 no.12S
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    • pp.1273-1277
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    • 2003
  • The effects of molecular structure on the redox properties are explored by the cyclic voltammetry, constant current potentiometry and spectroscopy using the thin films of organic electroluminescence materials of Poly(N-vinylcarbazole); PVK and 2- (4'-tert-butylphenyl) -5-(4"-bisphenyl) -1,3,4-oxadiazole; PBD. The UV/visible absorption maxima and band gap (E$\_$g/) show at 310nm (4.00eV) and 368nm (3.37eV) for FBD, 344nm (3.60eV) and 356nm (3.48eV) for PVK, respectively. The measured electrochemical ionization potential (IP) and electron affinity (EA) of these materials we 5.87 and 2.82eV for PBD, 5.80 and 3.17eV for PVK, respectively. The electrical band gaps are 3.05eV for PBD and 2.78eV for PVK, respectively. The electrical hole gap and electron gap with respect to the first rising potentials and the inflection potentials are obtained to be 0.39V and 0.41V for PBD, 0.25V and 0.28V for FVK, respectively.

The Design of a PCS Band Microstrip Patch Antenna with Auxiliary Wire and Annular Gap (보조 도선과 Annular Gap을 추가한 PCS 대역 마이크로스트립 패치 안테나 설계)

  • Choi, Kyoung-Sik;Yoon, Jong-Soeb;Ryu, Mi-Ra;Lee, Won-Hui;Hur, Jung
    • The Journal of Korean Institute of Electromagnetic Engineering and Science
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    • v.12 no.3
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    • pp.329-338
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    • 2001
  • In this paper, we designed microstrip patch antenna to enhance the weak point of general microstrip patch antenna that has narrow bandwidth and analyzed that. To reduce reactance in probe feed antenna, capacitive gap added to the patch. Using single patch and auxiliary wire, makes dual frequency resonant. So bandwidth is improved and gain also becomes higher. To verify with experiment, PCS band antenna is designed, fabricated. For PCS band antenna, bandwidth is 180 MHz in VSWR<1.5 and gain is 8.6 dBi.

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Wave Propagation Characteristics of Acoustic Metamaterials with Helmholtz Resonators (헬름홀츠 공명기들로 구성된 음향 메타물질의 파동전파 특성)

  • Kwon, Byung-Jin;Jo, Choonghee;Park, Kwang-Chun;Oh, Il-Kwon
    • Transactions of the Korean Society for Noise and Vibration Engineering
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    • v.23 no.2
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    • pp.167-175
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    • 2013
  • The wave propagation characteristics of an acoustic metamaterial composed of periodically repeated one-dimensional Helmholtz resonator array was investigated considering the effects of dimensional changes of the resonator geometry on the transmission coefficient and band gap. The effective impedance and transmission coefficient of the acoustic metamaterials are obtained based on the acoustic transmission line method. The designed acoustic metamaterials exhibit band gaps and negative bulk modulus that are non-existent properties in the nature. The band gap of the acoustic metamaterial is strongly dependent on the geometry parameters of Helmholtz resonators and lattice spacing. Also, a new type of metamaterial that is periodically constructed with two different resonators was designed to open the local resonance band gap without change of Bragg scattering.

A Study on the Band Characteristics of ZnSe Thin Film with Zinc-blende Structure (Zinc Blende 구조를 가지는 ZnSe 결정의 밴드 특성에 관한 연구)

  • Park, Jeong-Min;Kim, Hwan-Dong;Yoon, Do-Young
    • Journal of the Korean Electrochemical Society
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    • v.14 no.3
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    • pp.145-151
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    • 2011
  • ZnSe, as a II-VI compound semiconductor which has a wide band gap in the visible region is applicable to the various fields such as laser diode, display and solar cell. By using the electrochemical deposition method, ZnSe thin film was synthesized on the ITO glass substrate. The synthesis of ZnSe grains and their structure having zinc blende shape were verified through the analysis of XRD and SEM. UV spectrophotometric method determined the band gap as the value of 2.76 eV. Applying the DFT (Density Functional Theory) in the molecular dynamics, the band structure of ZnSe grains was analyzed. For ZnSe grains with zinc blende structure, the band structure and its density of state were simulated using LDA (Local Density Approximation), PBE (Perdew Burke Ernzerhof), and B3LYP (Becke, 3-parameter, Lee-Yang-Parr) functionals. Among the calculations of energy band gap upon each functional, the simulated one of 2.65 eV based on the B3LYP functional was mostly near by the experimental measurement.

Design of Meander Chip Antenna with Gap Stub for Dual-Band(GPS/K-PCS) Operation (갭 스터브가 삽입된 이중 대역(GPS, K-PCS) 미엔더 칩 안테나 설계)

  • Kim Young-Do;Sin Kyung-Sup;Won Chung-ho;Lee Hong-Min
    • Proceedings of the IEEK Conference
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    • 2004.06a
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    • pp.217-220
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    • 2004
  • This paper presents design simulation, implementation, and measurement of a miniaturized GPS/K-PCS dual-band LTCC chip antenna for mobile communication handsets. The dimension of LTCC chip antenna is $9mm{\times}15mm{\times}1.2mm$. The lower meander type antenna is to be tuned to the lower frequency (GPS) band and the upper meander antenna with via hole connection is to contribute the higher frequency (K-PCS) band. In order to lowering the resonant frequency for GPS band, two printed modified meander antenna with gap stub is used to integrate with PCS band operation. The measured resonant frequency at GPS band shifts to lower frequency about 100MHz. The measured impedance bandwidth(VSWR $\leq$ 2) are 55MHz and 120MHz at the resonant frequency. respectively.

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Opto-electric properties for the $AgInS_2$ epilayers grown by hot wall epitaxy (Hot wall epitaxy법에 의해 성장된 $AgInS_2$ 박막의 광전기적 특성)

  • Lee, K.G.;Hong, K.J.
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2004.07a
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    • pp.267-270
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    • 2004
  • A silver indium sulfide($AgInS_2$) epilayer was grown by the hot wall epitaxy method, which has not been reported in the literature. The grown $AgInS_2$ epilayer has found to be a chalcopyrite structure and evaluated to be high qualify crystal. From the photocurrent measurement in the temperature range from 30 K to 300 K, the two peaks of A and B were only observed, whereas the three peaks of A, B, and C were seen in the PC spectrum of 10 K. These peaks. are ascribed to the band-to-band transition. The valence band splitting of $AgInS_2$ was investigated by means of the photocurrent measurement. The crystal field splitting, $\ddot{A}cr$, and the spin orbit splitting, $\ddot{A}so$, have been obtained to be 0.150 eV and 0.009 eV at 10 K, respectively. And, the energy band gap at room temperature has been determined to be 1.868 eV. Also, the temperature dependence of the energy band gap, $E_g(T)$, was determined.

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The Physicochemical and Optical Characteristics of FeaSibCcHd Films (FeaSibCcHd 박막의 물리·화학 및 광학적 특성)

  • Kim, Kyung-soo;Jean, Bup-Ju;Jung, Il-Hyun
    • Applied Chemistry for Engineering
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    • v.10 no.1
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    • pp.105-111
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    • 1999
  • When the preparation method of iron silicide films possess the annealing process, the interfacial state of the films is not fine. The good quality films were obtained as the plasma was used without annealing processing. Since the injected precursors were various active species in the plasma state, the organic compound was contained in the prepared films. We confirmed the formation of Fe-Si bonds as well as the organic compound by Fe and Si vibration mode in Raman scattering spectrum at $250cm^{-1}$ and Ft-IR. Because of epitaxy growth being progressed by the high energy of plasma at the low temperature of substrate, iron silicide was epitaxially grown to ${\beta}$-phase that had lattice structure such as [220]/[202] and [115]. Band gap of the prepared films had value of 1.182~1.174 eV and optical gap energy was shown value of 3.4~3.7 eV. The Urbach tail and the sub-band-gap absorptions were appeared by organic compound in films. We knew that the prepared films by plasma were obtained a good quality films because of being grown single crystal.

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