• Title/Summary/Keyword: Electronic states

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Analysis of the Derivative Coupling Vector for the $1,2^2$ A' States of $H_3$

  • Han, Seung Seok
    • Bulletin of the Korean Chemical Society
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    • v.21 no.12
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    • pp.1227-1232
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    • 2000
  • Near the conical intersection for the 1,2 $^{2}A'$ states of $H_3$ the derivative coupling vector is calculated and analyzed on the plane of internal coordinates, (U,V) or its polar coordinates $(S{\theta})$, based on the squares of the internuclear distances. It is shown that in the vicinity of the conical intersection the derivative coupling vector behaves like ${\theta}/2S$, which is responsible for the sign changes of the real-valued electronic wave function when the nuclear configuration traverses a closed path enclosing a conical intersection. The analytic property of the wave functions is studied and especially the observation of the sign change in the configuration state function (CSF) coefficients of the real-valued electronic wave functions is demonstrated.

Photodissociation to Several Atomic Terms: Near-threshold Resonance for Production of O($^3$P) and O($^1$D) in OH Photodissociation

  • Lee, Seong Yeol
    • Bulletin of the Korean Chemical Society
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    • v.22 no.12
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    • pp.1333-1336
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    • 2001
  • A theoretical analysis is presented for the multichannel type resonance at energies above the dissociation threshold to O(1D) in the photodissociation of OH. Dissociations to both oxygenic terms O(3P) and O(1D) are treated. Total cross sections for producing these oxygen terms display asymmetric resonance due to the quantum interference resulting from complicated interplay of electronic states correlating to these two oxygenic terms. The branching ratios of O(3Pj, j = 0, 1, 2), and the vector properties of O(3Pj, j =0,1,2) and O(1D) display extensive changes near the threshold resonance as the result of the interactions among the electronic states correlated with O(3P) and O(1D).

ELECTRONIC STRUCTURES AND MAGNETIC PROPERTIES OF HEUSLER COMPOUNDS: XMnSb (X=Ni, Pd, and Pt)

  • Youn, S.J.;Min, B.I.;Jang, Y.R.
    • Journal of the Korean Magnetics Society
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    • v.5 no.5
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    • pp.749-752
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    • 1995
  • Electronic structures of the Heusler compounds, XMnSb (X=Ni, Pd, and Pt) are investigated systematically by using the linearized muffiu-tin orbital (LMTO) band method. LMTO band calculations yield that, by including the spinorbit interactions, the NiMnSb and PtMnSb are half-metallic, while PdMnSb is normal metallic at the experimental lattice constant. The effect of the spin-orbit interaction is substantial in PtMnSb, in contrast to NiMnSb and PdMnSb. The calculated X d and Mn 3d angular momentum projected local density of states's reveal that the hybridization between the Mn 3d X d states increases from X = Pt to Pd and Ni.

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The Application of Porter's Five Forces Model on the Electronic Components Industry in the United States and the Strategy of the Korean Company (미국 내 전자부품산업의 5 Forces Model과 한국기업전략)

  • Kang, Boksun;Lee, Minjung
    • Proceedings of the Korean Society of Computer Information Conference
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    • 2022.01a
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    • pp.179-180
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    • 2022
  • 미상무성이 2021년에 발표한 미국의 전체 무역량 중 한국의 비중은 3.4%로 미국의 수입국중 7위를 기록하고 있다. 그중 전자부품이 차지하는 비율은 26.7%로 미국 내에서도 주요 수입품목으로 분류된다. KOTRA는 미국의 디지털화에 따른 5G, 6G, 클라우드 컴퓨팅, 인공지능(AI) 등의 산업 시장 확대와 더불어 소재부품의 수요도 증가할 것으로 전망하고 있다[1]. 한국의 부품산업이 미국 시장에 보다 효과적으로 진출하기 위한 전략 수립을 위해 마이클 포터의 5 Forces Model을 미국의 산업 환경에 적용하였다. 한국의 부품기업들이 미국시장진출을위해서는 국가 내부적으로는 원천 기술력을 최대한 확보하고, 원자재 공급망을 안정화시켜 외부의 위협을 견제함과 동시에, 미국 시장에서는 한국 전자부품의 차별성을 인증받아 소비재 개발의 초기단계에 파트너사로 진입 산업 내 경쟁우위를 선점하는 것이 중요하다.

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THEORETICAL STUDIES ON THE PHOTOCHEMISTRY OF PYRAZINYLQUINOXALINYLETHYLENE

  • Kim, Ja-Hong;Sohn, Sung-Ho;Hong, Sung-Wan
    • Journal of Photoscience
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    • v.5 no.2
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    • pp.69-71
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    • 1998
  • Electronic structures and excited states for pyrazinylquinoxalinylethylene are investigated using PM3-UHF-CI and Molecular Mechanics force field. The results indicate that pyrazinylquinoxalinylethylene has extensively mixed ($\pi$, $\pi$$^*$) and (n, $\pi$$^*$) states while the (n, $\pi$$^*$) transition band does not appear in the absorption spectrum clearly and seems to be submerged under the more intense ($\pi$, $\pi$$^*$) bands.

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Observation of Penning ionization using the optogalvanic effect

  • Jeong, Kee-Ju;Lee, Jun-Hoi
    • Journal of Korean Vacuum Science & Technology
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    • v.7 no.1
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    • pp.18-22
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    • 2003
  • The optogalvanic effect is proposed and demonstrated as a technique for Penning ionization in a discharge of mixtures of metal vapors and rare gases. The gadolinium and argon mixture is used as a prototype. The lowest metastable of argon, 3P$_2$ (ls$\_$5/ in Paschen notation) at 93144 cm$\^$-1/, is within kT from the excited states of Gd ion. Thus Penning ionization occurs to an excited states of the ion. This process strongly alters the optogalvanic signal and has its own signatures.

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A First-principles Study on Magnetism of $Fe_2 /Ir_4$(001) Superlattice

  • Kim, Jae Il;Lee, In Gee
    • Journal of Magnetics
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    • v.6 no.3
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    • pp.80-82
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    • 2001
  • We have investigated magnetism of $Fe_2 /Ir_4$(001) superlattice in terms of a first-principles calculation by using an all-electron full-potential linearized augmented plane-wave (FLAPW) method within the generalized gradient approximation (GGA). We considered two magnetic states, the ferromagnetic (FM) and antiferromagnetic (AFM) coupled states between the Fe layers. It was found that the FM state was energetically more stable than the AFM one by 0.166 eV. Calculated magnetic moments of the Fe layers were, in absolute values, 2.45$\mu_B$ and 2.30 $\mu_B$for the FM and AFM states, respectively. We also found that the Ir layers had very small magnetic moments less than 0.1 $\mu_B$ for both magnetic states. In all the magnetic states, the subinterface Ir layers were coupled antiferromagnetically to the interface Ir layers, while the interface Ir layers were always coupled frerromagnetically to the interface Fe layers. These results contradicted to recent experimental reports of magnetically "dead"Fe layers in Fe/Ir superlattices for which the Fe layer thickness was less than two atomic layers. We attributed that the experimentally observed "dead"Fe layers were due to possible interdiffusion between Ir and Fe layers.en Ir and Fe layers.

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Sequential Formation of Multiple Gap States by Interfacial Reaction between Alq3 and Alkaline-earth Metal

  • Kim, Tae Gun;Kim, Jeong Won
    • Proceedings of the Korean Vacuum Society Conference
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    • 2013.08a
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    • pp.129.2-129.2
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    • 2013
  • Electron injection enhancement at OLED (organic light-emitting diodes) cathode side has mostly been achieved by insertion of a low work function layer between metal electrode and emissive layer. We investigated the interfacial chemical reactions and electronic structures of alkaline-earth metal (Ca, Ba)/Alq3 [tris(8-hydroxyquinolinato)aluminium] and Ca/BaF2/Alq3 using in-situ X-ray & ultraviolet photoelectron spectroscopy. The alkaline-earth metal deposited on Alq3 generates two energetically separated gap states in sequential manner. This phenomenon is explained by step-by-step charge transfer from alkali-earth metal to the lowest unoccupied molecular orbital (LUMO) states of Alq3, forming new occupied states below Fermi level. The BaF2 interlayer initially prevents from direct contact between Alq3 and reactive Ca metal, but it is dissociated into Ba and CaF2. However, as the Ca thickness increases, the Ca penetrates the interlayer to directly participate in the reaction with underlying Alq3. The influence of the multiple gap state formation by the interfacial chemical reaction on the OLED performance will be discussed.

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