• Title/Summary/Keyword: Fermi level

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The Analytical Solutions for Finite Clusters of Cubic Lattices

  • Gean-Ha Ryu;Hojing Kim
    • Bulletin of the Korean Chemical Society
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    • v.12 no.5
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    • pp.544-554
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    • 1991
  • Using the Huckel method, we obtain the analytical expressions for eigenvalues and eigenvectors of s.c., f.c.c. and b.c.c. clusters of rectangular parallelepiped shape, and of an arbitrary size. Our formula converage to those derived from the Bloch sum, in the limit of infinite extension. DOS and LDOS reveal that the major contribution of the states near Fermi level originates from the surface atoms, also symmetry of DOS curves disappears by the introduction of 2nd nearest neighbor interactions, in all the cubic lattices. An accumulation of the negative charges on surface of cluster is observed.

Temperature and Coverage Dependent Quasi-reversible Two-photon Photoemission of 1-phenyl-1-propyne on Cu(111)

  • Sohn, Young-Ku;Wei, Wei;Huang, Weixin;White, John M.
    • Bulletin of the Korean Chemical Society
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    • v.32 no.6
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    • pp.1980-1984
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    • 2011
  • A temperature- and coverage-dependant quasi-reversible change in two-photon photoemission (2PPE) of chemisorbed 1-phenyl-1-propyne (PP) on Cu(111) is reported. For PP on Cu(111) at 300 K probed at a photon energy of 4.13 eV, two broad peaks of comparable intensity show final state energies of 7.25 and 7.75 eV above the Fermi level. The former peak could be assigned to the first image potential state (IS, n = 1) and/or unoccupied molecular orbital (UMO), located at 3.1 eV above the Fermi level. The latter is plausibly attributed to a mix of unoccupied higher-order IS (and/or UMO) and occupied surface state (SS) of Cu(111). With decreasing the temperature, the former 2PPE peak shows a shift in position by about 0.2 eV, and the latter exhibits a dramatic increase in intensity. In the system, intermolecular interactions (and/or order-disorder transition) of PP and substrate lattice temperature may play a significant role in change in photoexcitation lifetime (or excitation cross-section), and the unoccupied molecular orbital (UMO)-metal (IS) charge transfer coupling. Our unique 2PPE results provide a deeper insight for understanding photoexcitation charge transfer with temperature in an organic molecule/metal system.

Electronic Structure and Chemical Bonding of La7Os4C9 (La7Os4C9의 전자구조와 화학결합)

  • Kang, Dae-Bok
    • Journal of the Korean Chemical Society
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    • v.53 no.3
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    • pp.266-271
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    • 2009
  • In the recently synthesized rare earth transition metal carbide $La_7O_{s4}C_9$ one finds one-dimensional organometallic $[O_{s4}C_9]^{21-}$ polymers embedded in a $La^{3+}$ ionic matrix. The electronic structure of the polymeric $[O_{s4}C_9]^{21-}$ chain was investigated by density of states (DOS) and crystal orbital overlap population (COOP), using the extended Huckel algorithm. A fragment molecular orbital analysis is used to study the bonding characteristics of the $C_2$ units in $La_7O_{s4}C_9$ containing $C_2$ units and single C atoms as well. The title compound contains partially filled Os and carbon bands leading to metallic conductivity. As the observed distances already indicated, the calculations show extensive Os-C interactions. The C-C bond distance in the diatomic $C_2$ units ($d_{C-C}$=131 pm) in the solid is significantly increased relative to $${C_2}^{2-}$$ or acetylene, because antibonding $1{\pi}_g$ orbitals are partially filled by the Os-$C_2(1\;{\pi}_g)$ bonding contribution found at and below the Fermi level.

ARPES Study of Quasi-Two Dimensional CDW System CeTe2 (준이차원 전하밀도파 CeTe2의 각분해 광전자 분광 연구)

  • Kim, D.H.;Lee, H.J.;Kang, J.S.;Kim, H.D.;Min, B.H.;Kwon, Y.S.;Kim, J.W.;Min, B.I.
    • Journal of the Korean Magnetics Society
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    • v.20 no.5
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    • pp.173-177
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    • 2010
  • The electronic structure of charge-density-wave (CDW) system $CeTe_2$ has been investigated by using angle-resolved photoemission spectroscopy (ARPES). The clearly dispersive band structures are observed in the measured ARPES spectra, indicating the good quality of the single-crystalline sample employed in this study. The four-fold symmetric patterns are observed in the constant energy (CE) mappings, indicating the $2{\times}2$ lattice deformation in the Te(1) sheets. The observed CE images are similar to those of $LaTe_2$, suggesting that Ce 4f states have the minor contribution to the CDW formation in $CeTe_2$. This study reveals that the carriers near the Fermi level should have mainly the Te(1) 5p and Ce 5d character, that the Te(1) 5p bands contribute to the CDW formation, and that the Ce 5d bands cross the Fermi level even in the CDW state.

Host effects on electrical conductivity of $ReO_3$ doped organic semiconductors

  • Lee, Jae-Hyun;Leem, Dong-Seok;Kim, Jang-Joo
    • 한국정보디스플레이학회:학술대회논문집
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    • 2009.10a
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    • pp.346-349
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    • 2009
  • We investigated the doping effects of $ReO_3$ in different p-type organic semiconductors on the formation of charge transfer complexes and the electrical conductivity by comparing the absorption in ultraviolet-visible-nearinfrared (UV-Vis-NIR) and the current density-voltage characteristics of the hole only devices, respectively. The large energy difference between the HOMO level of host and Fermi energy level of dopant (${\Delta}E$=$E_{HOHO,host}$ - $E_{F,dopant}$) gives higher concentration of CT complexes and enhanced conductivity.

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Charge Transfer Mechanism of Electrically Bistable Switching Devices based on Polyimide

  • Lee, Gyeong-Jae;Im, Gyu-Uk;Kim, Dong-Min;Lee, Mun-Ho;Gang, Tae-Hui;Jeong, Seok-Min
    • Proceedings of the Korean Vacuum Society Conference
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    • 2010.02a
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    • pp.374-374
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    • 2010
  • Charge transfer mechanism of poly(4,4'-aminotriphenylene hexafluoroisopropylidenediphthalimide) (TP6F PI) which exhibits bistable ON and OFF switching has been studied using photoemission electron spectroscopy (PES) and near-edge x-ray absorption fine structure (NEXAFS). Here, we demonstrate novel set-up in which holes are injected by photoemission process instead of direct charge carrier injection via metal electrode. The accumulated charges on the PI surface in the OFF state abruptly flow across the PI film when the bias voltage of a back electrode reaches a specific value, indicating that the film is changed to the ON state. Core level and x-ray absorption spectra probed at charge injection region via photoemission process do not show any evidences implying structural modification of TP6F PI during the phase change. Whereas, in valence band spectra, the highest occupied molecular orbital (HOMO) is shifted toward Fermi level, responsible for improved hole-mobility of TP6F PI of ON state.

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In Situ Spectroscopy in Condensed Matter Physics

  • Noh, Tae Won
    • Proceedings of the Korean Vacuum Society Conference
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    • 2014.02a
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    • pp.92-92
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    • 2014
  • Recently, many state-of-art spectroscopy techniques are used to unravel the mysteries of condensed matters. And numerous heterostructures have provided a new avenue to search for new emergent phenomena. Especially, near the interface, various forms of symmetry-breaking can appear, which induces many novel phenomena. Although these intriguing phenomena can be emerged at the interface, by using conventional measurement techniques, the experimental investigations have been limited due to the buried nature of interface. One of the ways to overcome this limitation is in situ investigation of the layer-by-layer evolution of the electronic structure with increasing of the thickness. Namely, with very thin layer, we can measure the electronic structure strongly affected by the interface effect, but with thick layer, the bulk property becomes strong. Angle-resolved photoemission spectroscopy (ARPES) is powerful tool to directly obtain electronic structure, and it is very surface sensitive. Thus, the layer-by-layer evolution of the electronic structure in oxide heterostructure can be investigated by using in situ ARPES. LaNiO3 (LNO) heterostructures have recently attracted much attention due to theoretical predictions for many intriguing quantum phenomena. The theories suggest that, by tuning external parameters such as misfit strain and dimensionality in LNO heterostructure, the latent orders, which is absent in bulk, including charge disproportionation, spin-density-wave order and Mott insulator, could be emerged in LNO heterostructure. Here, we performed in situ ARPES studies on LNO films with varying the misfit strain and thickness. (1) By using LaAlO3 (-1.3%), NdGaO3 (+0.3%), and SrTiO3 (+1.7%) substrates, we could obtain LNO films under compressive strain, nearly strain-free, and tensile strain, respectively. As strain state changes from compressive to tensile, the Ni eg bands are rearranged and cross the Fermi level, which induces a change of Fermi surface (FS) topology. Additionally, two different FS superstructures are observed depending on strain states, which are attributed to signatures of latent charge and spin orderings in LNO films. (2) We also deposited LNO ultrathin films under tensile strain with thickness between 1 and 10 unit-cells. We found that the Fermi surface nesting effect becomes strong in two-dimensions and significantly enhances spin-density-wave order. The further details are discussed more in presentation. This work was collaborated with Hyang Keun Yoo, Seung Ill Hyun, Eli Rotenberg, Ji Hoon Shim, Young Jun Chang and Hyeong-Do Kim.

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Hydrazine Doped Graphene and Its Stability

  • Song, MinHo;Shin, Somyeong;Kim, Taekwang;Du, Hyewon;Koo, Hyungjun;Kim, Nayoung;Lee, Eunkyu;Cho, Seungmin;Seo, Sunae
    • Applied Science and Convergence Technology
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    • v.23 no.4
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    • pp.192-199
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    • 2014
  • The electronic property of graphene was investigated by hydrazine treatment. Hydrazine ($N_2H_4$) highly increases electron concentrations and up-shifts Fermi level of graphene based on significant shift of Dirac point to the negative gate voltage. We have observed contact resistance and channel length dependent mobility of graphene in the back-gated device after hydrazine monohydrate treatment and continuously monitored electrical characteristics under Nitrogen or air exposure. The contact resistance increases with hydrazine-treated and subsequent Nitrogen-exposed devices and reduces down in successive Air-exposed device to the similar level of pristine one. The channel conductance curve as a function of gate voltage in hole conduction regime keeps analogous value and shape even after Nitrogen/Air exposure specially whereas, in electron conduction regime change rate of conductance along with the level of conductance with gate voltage are decreased. Hydrazine could be utilized as the highly effective donor without degradation of mobility but the stability issue to be solved for future application.

Insertion of an Organic Hole Injection Layer for Inverted Organic Light-Emitting Devices

  • Park, Sun-Mi;Kim, Yun-Hak;Lee, Yeon-Jin;Kim, Jeong-Won
    • Proceedings of the Korean Vacuum Society Conference
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    • 2010.02a
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    • pp.379-379
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    • 2010
  • Recent technical advances in OLEDs (organic light emitting devices) requires more and more the improvement in low operation voltage, long lifetime, and high luminance efficiency. Inverted top emission OLEDs (ITOLED) appeared to overcome these problems. This evolved to operate better luminance efficiency from conventional OLEDs. First, it has large open area so to be brighter than conventional OLEDs. Also easy integration is possible with Si-based driving circuits for active matrix OLED. But, a proper buffer layer for carrier injection is needed in order to get a good performance. The buffer layer protects underlying organic materials against destructive particles during the electrode deposition and improves their charge transport efficiency by reducing the charge injection barrier. Hexaazatriphenylene-hexacarbonitrile (HAT-CN), a discoid organic molecule, has been used successfully in tandem OLEDs due to its high workfunction more than 6.1 eV. And it has the lowest unoccupied molecular orbital (LUMO) level near to Fermi level. So it plays like a strong electron acceptor. In this experiment, we measured energy level alignment and hole current density on inverted OLED structures for hole injection. The normal film structure of Al/NPB/ITO showed bad characteristics while the HAT-CN insertion between Al and NPB greatly improved hole current density. The behavior can be explained by charge generation at the HAT-CN/NPB interface and gap state formation at Al/HAT-CN interface, respectively. This result indicates that a proper organic buffer layer can be successfully utilized to enhance hole injection efficiency even with low work function Al anode.

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Electrical properties of (Na0.5Bi0.5)(Zr0.75Ti0.25)O3 ceramic

  • Lily, Lily;Yadav, K.L.;Prasad, K.
    • Advances in materials Research
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    • v.2 no.1
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    • pp.1-13
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    • 2013
  • Lead-free compound $(Na_{0.5}Bi_{0.5})(Zr_{0.75}Ti_{0.25})O_3$ was prepared using conventional ceramic technique at $1070^{\circ}C$/4h in air atmosphere. X-ray diffraction analysis showed the formation of single-phase orthorhombic structure. Permittivity data showed low temperature coefficient of capacitance ($T_{CC}{\approx}5%$) up to $100^{\circ}C$. Complex impedance studies indicated the presence of grain boundary effect, non-Debye type dielectric relaxation and evidences of a negative temperature coefficient of resistance. The ac conductivity data were used to evaluate the density of states at Fermi level and apparent activation energy of the compound.