• Title/Summary/Keyword: Valence band structure

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Oxygen reduction reaction and electrochemical properties of transition metal doped (Pr,Ba)Co2O5+𝛿

  • Kanghee Jo;Heesoo Lee
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.33 no.1
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    • pp.37-44
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    • 2023
  • Transition metal (Me = Cu, Fe, Ni) doped (Pr, Ba)Co2O5+𝛿 (PBCO) material were investigated in terms of electronic structure change and electrochemical properties. It was confirmed that (Pr, Ba)(Co, Cu)O5+𝛿 (PBCCu) and (Pr, Ba)(Co, Fe)O5+𝛿 (PBCFe) showed cubic and orthorhombic structures, respectively, but (Pr, Ba)(Co, Ni)O5+𝛿 (PBCNi) showed secondary phases. PBCCu has an average particle diameter of 1093 nm, and PBCO and PBCFe have an average particle diameter of 495.1 nm and 728 nm, respectively. The average oxidation values of B site ions in PBCMe were calculated to be 3.26 (PBCO), 2.48 (PBCCu), 3.32 (PBCFe), and valence band maximum (VBM) was -0.42 eV (PBCO), -0.58 eV (PBCCu), -0.11 eV (PBCFe). It is expected that PBCCu easily interacts with adsorbed oxygen due to the lowest oxidation value and the highest VBM. The polarization resistance was 0.91 Ω cm2 (PBCO), 0.77 Ω cm2 (PBCCu), 1.06 Ω cm2 (PBCFe) at 600℃, showing the lowest polarization resistance of PBCCu.

Electronic Structure, Bonding and Kithium Migration Effects of the Mixed Conductor $\beta-LiAl$ (혼합 전도체 $\beta-LiAl$의 전자구조, 결합과 Li 이온 이동에 따른 영향)

  • Jang, Gun-Eik;I.M Curelaru
    • Journal of the Korean Vacuum Society
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    • v.5 no.3
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    • pp.194-198
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    • 1996
  • Detailed expermental studies of theelectronic structure of the valence and conduction bands of the mixed conductor $\beta$-LiAlindicate that a quasi-gap opens at the Fermi level, and the conduction states are highlylocalized, as opposed to the theoretical band structure calculations that predict predominant metallic behavior. Evidence for complex lithium migration effects involving the surface of Lial , induced by particle (electron or ion) bombardment and mechanical treatment , has been obtained as a byproduct of these experiments.

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Growth and photocurrent properties for the $AgInS_{2}$ epilayers by hot wall ep itaxy (Hot wall epitaxy 방법에 의한 $AgInS_{2}$ 박막의 성장과 광전류특성)

  • Hong, K.J.
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2002.08a
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    • pp.92-96
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    • 2002
  • 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 quality 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-ta-band transition. The valence band splitting of $AgInS_{2}$ was investigated by means of the photocurrent measurement. The crystal field splitting, $\Delta_{cr}$, and the spin orbit splitting, $\Delta_{so.}$ 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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Two-dimensional modelling of uniformly doped silicene with aluminium and its electronic properties

  • Chuan, M.W.;Wong, K.L.;Hamzah, A.;Rusli, S.;Alias, N.E.;Lim, C.S.;Tan, M.L.P.
    • Advances in nano research
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    • v.9 no.2
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    • pp.105-112
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    • 2020
  • Silicene is a two-dimensional (2D) derivative of silicon (Si) arranged in honeycomb lattice. It is predicted to be compatible with the present fabrication technology. However, its gapless properties (neglecting the spin-orbiting effect) hinders its application as digital switching devices. Thus, a suitable band gap engineering technique is required. In the present work, the band structure and density of states of uniformly doped silicene are obtained using the nearest neighbour tight-binding (NNTB) model. The results show that uniform substitutional doping using aluminium (Al) has successfully induced band gap in silicene. The band structures of the presented model are in good agreement with published results in terms of the valence band and conduction band. The band gap values extracted from the presented models are 0.39 eV and 0.78 eV for uniformly doped silicene with Al at the doping concentration of 12.5% and 25% respectively. The results show that the engineered band gap values are within the range for electronic switching applications. The conclusions of this study envisage that the uniformly doped silicene with Al can be further explored and applied in the future nanoelectronic devices.

Electronic Structure of Oxygen in the Defective Nickel Monoxide

  • Lee, Gwang Sun;Gu, Hyeon Ju;Ham, Gyeong Hui;An, Un Seon
    • Bulletin of the Korean Chemical Society
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    • v.16 no.2
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    • pp.164-168
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    • 1995
  • The band structure of nickel monoxide having a cation defect rock salt structure is calculated by means of the tight-binding extended Huckel method. The calculation is also made for the net charge, the DOS, the COOP, the electron density of the constituent atoms, and the O 1s binding energy shift when one of the adjacent nickel atoms is defected. It is found that the band gap near the Γ direction on the Brillouin zone is about 0.2 eV, and that all of the properties calculated including the electronic structure of the oxygen atom are more effectively affected by the surface defect than the inside one. The core O 1s binding energy shift is calculated by the use of valence potential method and the results are very satisfactory in comparison with the XPS experimental findings.

Growth and Photocurrent Properties for the AgInS2 Epilayers by Hot Wall Epitaxy (Hot wall epitaxy방법에 의한 AgInS2 박막의 성장과 광전류 특성)

  • Kim, H.S.;Hong, K.J.;Jeong, J.W.;Bang, J.J.;Kim, S.H.;Jeong, T.S.;Park, J.S.
    • Korean Journal of Materials Research
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    • v.12 no.7
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    • pp.587-590
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    • 2002
  • 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 quality 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, $\Delta_{cr}$ , and the spin orbit splitting, $\Delta_{so}$ , 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.d.

Oprical Properties of $\alpha$-Sulfur Single Crystal ($\alpha$-sulfur 단결정의 광학적 특성에 관한 연구)

  • 송호준;김화택;이정순
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.11 no.6
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    • pp.442-446
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    • 1998
  • $\alpha$--sulfur single crystal which has orthorohmbic structure was grown using Bridgman method. The indirect optical energy band gap of this crystal are 2.65 and 2.82 eV at 10 and 300K, respectively. The wavelengths of photoluminecence(PL) peaks are 543 and 596 nm at 10k, By thermally stimulated current (TSC) method, two electron traps($D_1,D_2$) located at 0/23 and 0.43eV below the conduction band and a hole trap(A) located at 0.31 eV above the valence band are observed. PL mechanism of $\alpha$-sulfur single crystal is analyzed using the values of optical energy band gap at 10k two electron traps and a hole trap.

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N-type doping and band gap change of Calix adsorbed on Graphene

  • Park, Seon-Min;Yang, Se-Na;Kim, Gi-Jeong;Kim, Bong-Su;No, Gwang-Hyeon;Lee, Han-Gil
    • Proceedings of the Korean Vacuum Society Conference
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    • 2010.02a
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    • pp.341-341
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    • 2010
  • Electronic structure of Calix adsorbed on epitaxial graphene (EG) was investigated using high resolution photoemission spectroscopy (HRPES). Increasing the deposition of calix molecule, we found that EG becomes n-type doping using secondary edge measurement (work function change). As we observe bonding nature of O 1s peak, we found that single O 1s peak can be clearly distinguished in the spectra indicating equivalent adsorption state. Finally, we were able to control the band gap of EG using valence band spectra as we change the amount of calix molecule. In this study, we will propose the possibility of band gap modulation of EG using calix molecule.

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Interface characteristics of Cu/TiN system by XPS (XPS를 이용한 Cu/TiN의 계면에 관한 연구)

  • 이연승;임관용;정용덕;최범식;황정남
    • Journal of the Korean Vacuum Society
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    • v.6 no.4
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    • pp.314-320
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    • 1997
  • A chemical reaction and electronic structure change at the interface between copper and titanium nitride were investigated by XPS. A thin Cu layer was deposited on a TiN substrate oxidized by exposure to air at room temperature. We observed the Ti(2p), O(1s), N(1s), Cu(2p) core-level, and Cu LMM Auger line spectra. With increasing of the thickness of Cu layer, these spectra do not show any changes in the line shape as well as in peak position. In addition, the valence band spectra in XPS do not show any changes, which indicates that Cu does not react with Ti, N, and O. This inreactivity of Cu might cause a poor adhesion between Cu and TiN.

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Broadening of absorption spectrum in a p-type InGaAs-InAlAs coupled Quantum well (p형 InGaAs-InAlAs 결합양자우물을 이용한 흡수계수스펙트럼의 broadening)

  • 김경환;김성준
    • Journal of the Korean Institute of Telematics and Electronics D
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    • v.34D no.3
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    • pp.34-40
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    • 1997
  • Intervalence subband absroption of normally incident infrared radiation in p-type InGaAs-InAlAs coupled quantum well (CQW) is theoretically investigated by the multiband effective mass formalism. By solving a 4*4 luttinger-kohn hamitonian, we calculate valence subband structures, intervalence subband transition matrix elements, and absorption coefficient spectrum in the CQW which consists of a wider well, a thinner well and a barreir between them. Using the flexible design parameters given to the valence band CQW structure, we show that the absorption coefficient profile can be tailored. For a carefully designed CQW, theabsorption coefficient cn be made to maintain a large value over a wider wavelength range of incident infrared radiation compared with that shown in intersubband absorption in usual single quantum well.

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