• 제목/요약/키워드: Energy band structure

검색결과 531건 처리시간 0.026초

Synthesis and Characterization of CZTS film deposited by Chemical Bath Deposition method

  • Arepalli, Vinaya Kumar;Kumar, Challa Kiran;Park, Nam-Kyu;Nang, Lam Van;Kim, Eui-Tae
    • Proceedings of the Materials Research Society of Korea Conference
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    • 한국재료학회 2012년도 춘계학술발표대회
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    • pp.99.1-99.1
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    • 2012
  • The thin-film photovoltaic absorbers (CdTe and $Cu(In,Ga)Se_2$) can achieve solar conversion efficiencies of up to 20% and are now commercially available, but the presence of toxic (Cd,Se) and expensive elemental components (In, Te) is a real issue as the demand for photovoltaics rapidly increases. To overcome these limitations, there has been substantial interest in developing viable alternative materials, such as $Cu_2ZnSnS_4$ (CZTS) is an emerging solar absorber that is structurally similar to CIGS, but contains only earth abundant, non-toxic elements and has a near optimal direct band gap energy of 1.4 - 1.6 eV and a large absorption coefficient of ~104 $cm^{-1}$. The CZTS absorber layers are grown and investigated by various fabrication methods, such as thermal evaporation, e-beam evaporation with a post sulfurization, sputtering, non-vacuum sol-gel, pulsed laser, spray-pyrolysis method and electrodeposition technique. In the present work, we report an alternative aqueous chemical approach based on chemical bath deposition (CBD) method for large area deposition of CZTS thin films. Samples produced by our method were analyzed by scanning electron microscopy, X-ray diffraction, transmission electron microscopy, absorbance and photoluminescence. The results show that this inexpensive and relatively benign process produces thin films of CZTS exhibiting uniform composition, kesterite crystal structure, and some factors like triethanolamine, ammonia, temperature which strongly affect on the morphology of CZTS film.

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The effect of thermal annealing and growth of $AgInS_2$/GaAs single crystal thin film by hot wal epitaxy (Hot wall Epitaxy(HWE)법에 의한 $AgInS_2$단결정 박막 성장과 열처리 효과)

  • Hong, Kwang-Joon
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • 제11권6호
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    • pp.274-284
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    • 2001
  • A stoichimetric mixture of evaporating materials for $AgInS_2$ single crystal thin films was prepared from horizontal furnace. To obtain the single crystal thin films. $AgInS_2$mixed crystal was deposited on thorughly etched semi-insulating GaAs(100) substrate by the Hot wall Epitaxy (HWE) system. The source and substrate temperatures were $680^{\circ}C$ and $410^{\circ}C$, respectively. The crystalline structure of the single thin films was investigated by the photoluminescence and double crystal X-ray diffraction(DCXD). The carrier density and mobility of $AgInS_2$ single crystal the films measured from Hall effect by van der Pauw method are $9.35\times 10^{16}/\terxtm{cm}^3$ and $294\terxtm{cm}^2$/V.s at 293 K, respectively. From the optical absorption measurement the temperature dependence of the energy band gap on AgInS$_2$ single crystal thin film was found to be $E_g$(T)= 2.1365eV-($9.89\times 10^{-3}eV/T^2$/(2930+T). After the as-grown $AgInS_2$ single crystal thin films was annealed in $Ag^-S^-$ and In-atmospheres, the origin of point defects of AgInS$_2$ single crystal the films has been investigated by using the photoluminescence(PL) at 10K. The native defects of $V_{Ag},V_s, Ag_{int}$ and $S_{int}$ int/ obtained from PL measurements were classified as a donors or acceptors type. And we concluded that the heat-treatment in the S-atmosphere converted $AgInS_2$ single crystal thin films to an optical p-type. Also, we confirmed that In in $AgInS_2$ /GaAs did not form the native defects because In is $AgInS_2$ single crystal thin films did exist in the form of stable bonds.

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A First-principles Study on the Electronic Structures and Magnetism of Antiperovskite Ti0.96Co0.02Fe0.02O2 (페로브스카이트 구조를 가지는 Ti0.96Co0.02Fe0.02O2의 전자구조와 자성)

  • Song, Ki-Myung;Bialek, B.;Lee, Jae-Il
    • Journal of the Korean Magnetics Society
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    • 제18권3호
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    • pp.85-88
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    • 2008
  • We calculated the electronic structures of substituted cobalt nitrides, that is $FeCo_3N$ and $NiCo_3Ni$, by using the all electron fullpotential linearized augmented plane-wave (FLAPW) energy band method, and investigated the influence on the magnetic properties of $Co_4N$ due to the substitution of Co atom located at corner sites by iron and nickel atoms. We found that the magnetic moments of CoII atoms located at the face-center positions in these compounds are almost same to that of $Co_4N$. The magnetic moments of Fe and Ni atoms in $FeCo_3N$ and $NiCo_3Ni$ are 3.086 and $0.795\;{\mu}_B$, and they have the localized nature of magnetism.

Molecular Geometries and Electronic Structures of Methyl Pyropheophorbide-a and (Cationic) Tropolonyl Methyl Pyropheophorbides: DFT Calculation

  • Kim, Na-Ri;Kim, Su-Jin;Kim, Jin-Dong;Huh, Do-Sung;Shim, Young-Key;Choe, Sang-Joon
    • Bulletin of the Korean Chemical Society
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    • 제30권1호
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    • pp.205-213
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    • 2009
  • This study reports on the geometry optimizations and electronic structure calculations for methyl pyropheophorbide (MPPa), tropolonyl methyl pyropheophorbides (TMPPa, ITMPPa), and cationic tropolonyl methyl pyropheophorbides ($TMPPa^+{{\cdot}BF_4}^-,\;ITMPPa^+{{\cdot}BF_4}^-,\;TMPPa^+,\;and\;ITMPPa^+$) using Local Spin Density Approximation (LSDA/ 6-31G*) and the Restricted Hatree-Fock (RHF/6-31G*) level theory. From the calculated results, we found that substituted cationic tropolonyl groups have larger structural effects than those of substituted neutral tropolonyl groups. The order of structural change effects is $ITMPPa^+ > ITMPPa^+{{\cdot}BF_4}^-$ > ITMPPa, as a result of the isopropyl group. Because it is an electron-releasing group, the substituted isopropyl group electronic effect on a 3-position tropolone increases the Highest Occupied Molecular Orbital and Lowest Unoccupied Molecular Orbital (HOMO-LUMO) energy gap. It was constituted that the larger the cationic characters of these photosensitizers, the smaller the HOMOLUMO band gaps are. The orbital energies of the cationic systems and the ions are stronger than those of a neutral system because of a strong electrostatic interaction. However, this stabilization of orbital energies are counteracted by the distortion of chlorin macrocycle, which results in a large destabilization of chlorin-based compound HOMOs and smaller destabilization of LUMOs as shown in TMPPa (ITMPPa), $TMPPa^+{{\cdot}BF_4}^- (ITMPPa^+{{\cdot}BF_4}^-),\;and\;TMPPa^+\;(ITMPPa^+)$ of Figure 6 and Table 6-7. These results are in reasonable agreement with normal-coordinate structural decomposition (NSD) results. The HOMO-LUMO gap is an important factor to consider in the development of photodynamic therapy (PDT).

Surface Morphology and Quantum Size Effect of ZnS Thin Film Grown by Solution Growth Technique (용액성장된 ZnS 박막의 표면형상 및 양자사이즈효과)

  • Lee, Jong-Won;Lee, Sang-Uk;Jo, Seong-Ryong;Kim, Seon-Tae;Park, In-Yong
    • Korean Journal of Materials Research
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    • 제12권1호
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    • pp.36-43
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    • 2002
  • In this study, the nanosized ZnS thin films that can be used for fabrication of blue light-emitting diodes, electro-optic modulators, and n-window layers of solar cells were grown by the solution growth technique (SGT), and their surface morphology and film thickness and grain size dependence on the growth conditions were examined. Based on these results, the quantum size effects of ZnS were systematically investigated. Governing factors related to the growth condition were the concentration of precursor solution, growth temperature, concentration of aq. ammonia, and growth duration. X-ray diffraction patterns showed that the ZnS thin film obtained in this study had the cubic structure ($\beta$-ZnS). With decreasing growth temperature and decreasing concentration of precursor solution, the surface morphology of film was found to be improved. Also, the film thickness depends largely on the ammonia concentration. In particular, this is the first time that the surface morphology dependence of ZnS film grown by SGT on the ammonia concentration is reported. The energy band gaps of samples were determined from the optical transmittance values, and were shown to vary from 3.69 eV to 3.91 eV. These values were substantially higher than 3.65 eV of bulk ZnS. It was also shown that the quantum size effect of SGT grown ZnS is larger than that of the ZnS films grown by most other growth techniques.

Structural and Optical Properties of CuS Thin Films Grown by RF Magnetron Sputtering (RF 마그네트론 스퍼터링법으로 성장시킨 CuS 박막의 구조적 및 광학적 특성)

  • Shin, Donghyeok;Lee, SangWoon;Son, Chang Sik;Son, Young Guk;Hwang, Donghyun
    • Journal of the Korean institute of surface engineering
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    • 제53권1호
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    • pp.9-14
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    • 2020
  • CuS (copper sulfide) thin films having the same thickness of 100nm were deposited on the glass substrates using by radio frequency (RF) magnetron sputtering method. RF powers were applied as a process variable for the growth of CuS thin films. The structural and optical properties of CuS thin films deposited under different power conditions (40-100W) were studied. XRD analysis revealed that all CuS thin films had hexagonal crystal structure with the preferential growth of (110) planes. As the sputtering power increased, the relative intensity of the peak with respect to the (110) planes decreased. The peaks of the two bands (264cm-1 and 474cm-1) indicated in the Raman spectrum exactly matched the typical spectral values of the covellite (CuS). The size and shape of the grains constituting the surface of the CuS thin films deposited under the power condition ranging from 40W to 80W hardly changed. However, the spacing between crystal grains tended to increase in proportion to the increase in sputtering power. The maximum transmittance of CuS thin films grown at 40W to 80W ranged from 50 % to 51 % based on 580nm wavelength, and showed a relatively small decrease of 48% at 100W. The band gap energy of the CuS thin films decreased from 2.62eV (at 40W) to 2.56eV (at 100W) as the sputtering power increased.

Growth and effect of thermal annealing for ZnIn2Se4 single crystalline thick film by hot wall epitaxy (Hot Wall Epitaxy (HWE)법에 의한 ZnIn2Se4 단결정 후막 성장과 열처리 효과)

  • Hong, Myung-Seuk;Hong, Kwang-Joon
    • Journal of Sensor Science and Technology
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    • 제17권6호
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    • pp.437-446
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    • 2008
  • Single crystalline ${ZnIn_2}{Se_4}$ layers were grown on thoroughly etched semi-insulating GaAs (100) substrate at $400^{\circ}C$ with hot wall epitaxy (HWE) system by evaporating ${ZnIn_2}{Se_4}$ source at $630^{\circ}C$. The crystalline structure of the single crystalline thick films was investigated by the photoluminescence (PL) and Double crystalline X-ray rocking curve (DCRC). The carrier density and mobility of ${ZnIn_2}{Se_4}$ single crystalline thick films measured from Hall effect by van der Pauw method are $9.41{\times}10^{16}cm^{-3}$ and $292cm^2/V{\cdot}s$ at 293 K, respectively. The temperature dependence of the energy band gap of the ${ZnIn_2}{Se_4}$ obtained from the absorption spectra was well described by the Varshni's relation, $E_g(T)$=1.8622 eV-$(5.23{\times}10^{-4}eV/K)T^2$/(T+775.5 K). After the as-grown ${ZnIn_2}{Se_4}$ single crystalline thick films was annealed in Zn-, Se-, and In-atmospheres, the origin of point defects of ${ZnIn_2}{Se_4}$ single crystalline thick films has been investigated by the photoluminescence (PL) at 10 K. The native defects of $V_{Zn}$, $V_{Se}$, $Zn_{int}$, and $Se_{int}$ obtained by PL measurements were classified as a donors or acceptors type. And we concluded that the heat-treatment in the Se-atmosphere converted ${ZnIn_2}{Se_4}$ single crystalline thick films to an optical p-type. Also, we confirmed that In in ${ZnIn_2}{Se_4}$/GaAs did not form the native defects because In in ${ZnIn_2}{Se_4}$ single crystalline thick films existed in the form of stable bonds.

ELF-MT Survey Between Sindangri and Dojonri Area in the Okchon Zone (옥천대내(沃川帶內) 신당(新堂)-도전리(道田里) 지역(地域)에 대한 ELF-MT 탐사(探査) 연구(硏究))

  • Min, Kyung Duck;Jeon, Jeong Soo;Chung, Seung Hwan
    • Economic and Environmental Geology
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    • 제21권3호
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    • pp.277-285
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    • 1988
  • The ELF-MT survey has been conducted at 9 points along the national road between the Sindangri and Dojonri area to study on the boundary between the Okchon and Choson systems, and subsurface geological structure of these two systems. Natural electromagnetic fields of 7.8, 14, and 20 Hz in the Schumann resonant frequency band were used for ELF-MT measurement. Apparent resistivity values were calculated from the measured magnetic and electric fields at each frequency, and resistivity sections were obtained by means of a trial and error method for one-dimensional analysis and finite element method for two-dimensioal analysis. The results of this study show that the resistivities of the Okchon and Choson systems are 700-3500 ohm-m and 40-5000 ohm-m, respectively. The boundary between these two systems is a fault with the width of 1 km fault zone and resistivity value of 200 ohm-m, and is located around Koburangjae. Another fault is appeared in Sindangri, and its resistivity value is 130 ohm-m. Intrusion of biotite granite is distributed in Jungchijae, and its resistivity value is 750 ohm-m. The area between Susanri and Koburangjae shows the highest resistivity value of 3500 ohm-m because metabasite and amphibolite are distributed in that area. Extremely low resistivity value of 40 ohm-m around Yongamsan is due to the Yongam formation, which is composed of graphitic black slate and overlying Choson Great Limestone group.

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THEMIS Pi2 observations near dawn and dusk sectors in the inner magnetosphere

  • Kwon, Hyuck-Jin;Kim, Khan-Hyuk;Lee, Dong-Hun;Takahashi, K.;Park, Young-Deuk;Bonnell, J.W.
    • Bulletin of the Korean Space Science Society
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    • 한국우주과학회 2010년도 한국우주과학회보 제19권1호
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    • pp.40.3-40.3
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    • 2010
  • The most frequently suggested source for Pi2 pulsations in the inner magnetosphere (L < 4) is standing fast-mode waves trapped in the plasmasphere (i.e., plasmaspheric resonances). They have been considered as the source of low-latitude Pi2 pulsations. The plasmaspheric resonance model suggests that compressional fast-mode waves can be detected at all local times inside the plasmasphere provided reflection of the wave energy is efficient. Until now, however, there are no reports about compressional Pi2s observed in the dayside inner magnetosphere. That is, there is longitudinal limit of inner magnetosphere. In February 2008, THEMIS probes were near dawn and/or dusk sides, which are the transition regions between the nightside and dayside, in the inner magnetosphere (L = 2-4) when low-altitude Pi2s were identified at Bohyun (L = 1.35) station in Korea. Using the THEMIS electric field data, we examined if Pi2s are excited by longitudinally localized disturbances. We found that compressional Pi2s having high coherence with a low-latitude Pi2 pulsation occur on dawnside. However, any compressional pulsations in the Pi2 frequency band were not detected on duskside. This indicates that compressional Pi2s disappear near the duskside. Our observations are discussed with spatial plasmaspheric structure and possible Pi2 mechanisms.

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Calculation on Electronic State of $MnO_2$ Oxide Semiconductor with other initial spin conditions by First Principle Molecular Orbital Method (제1원리 분자궤도계산법에 의한 초기 spin 조건에 따른 $MnO_2$ 반도체의 전자상태 변화 계산)

  • Lee, Dong-Yoon;Kim, Bong-Seo;Song, Jae-Sung;Kim, Hyun-Sik
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 한국전기전자재료학회 2003년도 추계학술대회 논문집 Vol.16
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    • pp.148-151
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    • 2003
  • The spin density of ${\beta}-MnO_2$ structure was theoretically investigated by $DV-X_{\alpha}$ (the discrete variation $X{\alpha}$) method, which is a sort of the first principle molecular orbital method using Hatre-Fock-Slater approximation. The used cluster model was $[Mn_{14}O_{56}]^{-52}$. The ${\beta}-MnO_2$ is a paramagnetic oxide semiconductor material having the energy band gap of 0.18 eV and an 3 loan-pair electrons in the 3d orbital of an cation. This material exhibits spin-only magnetism and has the magnetic ordering temperature of 94 K. Below this temperature its magnetism appears as antiferromagnetism. The calculations of electronic state showed that if the initial spin condition of input parameters changed, the magnetic state changed from paramagnetic to antiferromagnetic. When d orbital of all Mn atoms in cluster had same initial spin state as only up spin, paramagnetic spin density distribution appeared by the calculation. On the other way, d orbital had alternately changed spin state along special direction the resulted spin distribution showed antiferromagnetism.

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