• Title/Summary/Keyword: Electronic transition

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Application of CRAMPS for a Phase Transition in H+-ion irradiated TlH2PO4

  • Kim, Se-Hun;Han, J.H.;Lee, Cheol-Eui;Lee, Kwang-Sei;Kim, Chang-Sam;Dalal, N.S.;Han, Doug-Young
    • Journal of the Korean Magnetic Resonance Society
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    • v.14 no.2
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    • pp.134-143
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    • 2010
  • We studied the hydrogen-bonded $TlH_2PO_4$ (TDP) ferroelectrics treated with the proton-beam bombardment. The TDP material was irradiated with 1-MeV proton beam at a dose of $10^{15}/cm^2$. In order to analyze the hydrogen environment in TDP, we carried out the $^1H$ high resolution nuclear magnetic resonance (NMR) - i.e., Combined Rotation And Multiple Pulse Spectroscopy (CRAMPS) measurement. The isotropic chemical shift of hydrogen indicates its displacive property is related to the $PO_4$ lattice deformation which occurs throughout the antiferroelectric-, the ferroelastic- and the paraelastic-phase transitions. The temperature dependence of $\sigma_{iso}$ reveals the electronic charge redistribution is induced by the proton-beam irradiation and the elastic property.

Zn and Ni Doping Effects on Antiferromagneticv Spin Fluctuation in YBa$_2Cu_3O_7$ (Zn와 Ni의 치환이 YBa$_2Cu_3O_7$의 반강자성적 스핀요동에 주는 효과)

  • Han, Ki-Seong;Mean, Byeong-Jin;Lee, Kyu-Hong;Seo, Seung-Won;Kim, Do-Hyeong;Lee, Moo-Hee;Lee, Won-Chun;Cho, Jeong-Suk
    • 한국초전도학회:학술대회논문집
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    • v.9
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    • pp.247-250
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    • 1999
  • We have performed $^{63,65}$Cu nuclear quadrupole resonance (NQR) measurements on Zn and Ni doped YBa$_2Cu_3O_7$ (YBa$_2Cu_{3-x}M_xO_7$, M=Zn or Ni, x = 0.00 ${\sim}$ 0.09). Doping effects are markedly different in relaxation rates as well as in superconducting transition temperatures. Both the spin-lattice and the spin-spin relaxation rates decrease for Zn doped YBCO. However, those increase for Ni doped YBCO. This contrast in local electronic dynamics provides a clear microscopic evidence that Zn forms no local moment, while Ni develops a local moment. Consequently, the antiferromagnetic spin fluctuation is suppressed by Zn doping whereas it is preserved by Ni doping.

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The Origin of Change in Luminescent Properties of ZnMgS:Mn Thin Film Phosphor with Varying Annealing Temperature

  • Lee, Dong-Chin;Kang, Jong-Hyuk;Jeon, Duk-Young;Yun, Sun-Jin
    • 한국정보디스플레이학회:학술대회논문집
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    • 2005.07b
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    • pp.1576-1579
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    • 2005
  • With varying rapid thermal annealing (RTA) temperature, luminescence properties of $Zn_{0.75}Mg_{0.25}S:Mn$ thin film deposited by RF-magnetron sputtering technique were investigated. In this study, $Zn_{0.75}Mg_{0.25}S:Mn$ thin film phosphor showed more red emission than those of the previous studies when annealed around 600 or $650^{\circ}C$. Although all samples were deposited from identical source composition, a main peak wavelength of photoluminescence spectra of $Zn_{0.75}Mg_{0.25}S:Mn$ shifted toward shorter wavelengths depending upon increase of RTA temperature. The same dependence of wavelength on RTA temperature was also observed in cathodoluminescence as well as electroluminescence measurements. It was revealed that the change of the luminescence properties were originated from structural changes in $Zn_{0.75}Mg_{0.25}S:Mn$ thin film phosphor from cubic to hexagonal phases analyze using conventional X-ray pole figure mapping. The phase transition would be the origin of luminescence property changes with respect to RTA temperature.

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Embedded Software Minimization Using Don′t Cares (Don′t Care 정보를 이용한 임베디드 소프트웨어의 최적화)

  • Hong, Yu-Pyo
    • Journal of the Institute of Electronics Engineers of Korea SD
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    • v.37 no.3
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    • pp.48-54
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    • 2000
  • This paper exploits the use of don't cares on software synthesis for embedded systems. Embedded systems have extremely tight real-time and code size constraints. We propose applying BDD minimization techniques in the presence of a don't care set to synthesize code for extended Finite State Machines from a BDD-based representation of the FSM transition function. The don't care set can be derived from local analysis as well as from external information. We show experimental results, discuss their implications, the interactions between BDD-based minimization and dynamic variable reordering, and propose directions for future research.

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The α-Effect in SNAr Reaction of 1-Fluoro-2,4-dinitrobenzene with Hydrazine: Ground-State Destabilization versus Transition-State Stabilization

  • Cho, Hyo-Jin;Um, Ik-Hwan
    • Bulletin of the Korean Chemical Society
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    • v.35 no.8
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    • pp.2371-2374
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    • 2014
  • A kinetic study is reported on SNAr reaction of 1-fluoro-2,4-dinitrobenzene with a series of primary amines including hydrazine in $H_2O$ at $25.0^{\circ}C$. The plots of $k_{obsd}$ vs. [amine] are linear and pass through the origin, indicating that general-base catalysis by a second amine molecule is absent. The Br${\o}$nsted-type plot exhibits an excellent linear correlation with ${\beta}_{nuc}$ = 0.46 when hydrazine is excluded from the correlation. The reaction has been suggested to proceed through a stepwise mechanism, in which expulsion of the leaving group occurs after the rate-determining step (RDS). Hydrazine is ca. 10 times more reactive than similarly basic glycylglycine (i.e., the ${\alpha}$-effect). A five-membered cyclic intermediate has been suggested for the reaction with hydrazine, in which intramolecular H-bonding interactions would facilitate expulsion of the leaving group. However, the enhanced leaving-group ability is not responsible for the ${\alpha}$-effect shown by hydrazine because expulsion of the leaving group occurs after RDS. Destabilization of the ground-state of hydrazine through the electronic repulsion between the nonbonding electron pairs is responsible for the ${\alpha}$-effect found in the current $S_NAr$ reaction.

Specific heat jump of superconducting crystal in low temperature (저온에서 초전도 결정의 비열 점프)

  • Kim, Cheol-Ho
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.21 no.1
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    • pp.1-5
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    • 2011
  • In this paper, firstly we have derived and presented the specific heat jump as a function of the critical temperature. Secondly, we have analyzed the sign and magnitude of the derived specific heat jump and predicted the expected experimental results. And lastly, we have compared the expected experimental results with the real experimental results. Theoretically derived specific heat jump is considerably compatible with the specific heat jump up and down phenomena of the $YNi_2B_2C$ crystal. Especially, the remarkable theoretical prediction-hat the specific heat would jump down during the normal state-to-superconducting state transition at extremely low temperatures-have been confirmed by the experimental results.

Doping effects of sulfur and oxygen atoms on a golden cage

  • Kang, Seoung-Hun;Kim, Gunn;Kwon, Young-Kyun
    • Proceedings of the Korean Vacuum Society Conference
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    • 2010.08a
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    • pp.272-272
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    • 2010
  • The structural and electronic properties of $XAu_{16^-}$ (X = S or O) have been studied by the scalar relativistic all-electron density functional calculations, in which a particular attention is paid to the stability of various $XAu_{16^-}$ structures. We find that an X-encapsulated golden cage ($XAu_{16^-}$) represents an ionic character whereas in the other structures, adsorption characters are represented by covalent bonding. Especially, in S@$Au_{16^-}$, electrons are donated from the S atom to $Au_{16^-}$. The most stable $XAu_{16^-}$ structures exhibit a small HOMO-LUMO energy gap, indicating that they could be chemically reactive. We also calculated the activation energy barriers of the transition between the most stable exohedral and endohedral adsorption configurations as well as their reaction energies. Our results demonstrate that the activation barrier in the $OAu_{16^-}$ is lower than in $SAu_{16^-}$. This is associated with the smaller atomic radius of oxygen than that of sulfur.

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The Electronic Structure and Reactivity of Transition Metal Complexes (III). Effect of Pressure on the Aquation of $[Cr(NH_3)_5(DMF)]^{3+}$ Ion (전이금속 착물의 전자구조 및 화학적 반응성 (제 3 보) $[Cr(NH_3)_5(DMF)]^{3+}$ 이온의 수화반응에 미치는 압력효과)

  • Jong-Jae Chung;Choi Jong-Ha;Eun-Ki Kim
    • Journal of the Korean Chemical Society
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    • v.33 no.6
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    • pp.582-587
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    • 1989
  • Rates for aquation of $[Cr(NH_3)_5(DMF)]^{3+}$ ion in aqueous acidic solution have been measured by spectrophotometric method at various temperatures and pressures. The volume of activation for the aquation is small negative and lies in the limited range -2.76 ∼ -3.65 $cm^3mol^{-1}$. The entropy and compressibility coefficient of activation are small negative values. From the results of thermodynamic activation parameters, it can be inferred that the aquation of $[Cr(NH_3)_5(DMF)]^{3+}$ ion proceeds through an associative interchange($I_a$) mechanism.

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Correlation Effects in Superconducting $Sr_2VO_3FeAs$ (초전도 $Sr_2VO_3FeAs$에서 상관효과)

  • Lee, K.W.
    • Progress in Superconductivity
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    • v.12 no.1
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    • pp.46-50
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    • 2010
  • In the superconducting $Sr_2VO_3FeAs$, containing bimetallic layers, with maximum $T_c{\approx}\;46\;K$ correlation effects on V ions have been investigated using LDA+U method. Within the local density approximation (LDA) this system has the one-third filled $t_{2g}$ manifold of V, decomposed into $d_{xy}$ of bandwidth W=2 eV and nearly degenerate $d_{zx}d_{yz}$ of W=1 eV. Consideration of correlation effects leads to a metal-insulator transition on V ions $t^{2\uparrow}_{2g}\;{\rightarrow}\;d^{1\uparrow}_{xz}\;d^{1\uparrow}_{yz}$ at the critical on-site Coulomb repulsion $U_c$= 3.5 eV. At U=4 eV, the electronic structure, in which V ions are insulating, leads to several van Hove singularities near $E_F$ and similar Fermiology with other pnictides. Applying U to V ions results in increasing Fe moment as well as V moment, indicating somewhat hybridization between Fe and V ions even though this system is strongly 2-dimesional. Our results show possible importance of correlation effects on this system.

Glycothermal Synthesis and Characterization of 3Y-TZP Nanoparticles

  • Song, Jeong-Hwan;Lee, Ju-Hee
    • Korean Journal of Materials Research
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    • v.19 no.8
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    • pp.412-416
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    • 2009
  • In this study, 3 mol% yttria-tetragonal zirconia polycrystal (3Y-TZP) nanoparticles were synthesized by the glycothermal method under various reaction temperatures and times. The co-precipitated precursor of 3Y-TZP was prepared by adding $NH_4OH$ to starting solutions, and then the mixtures were placed in an autoclave reactor. Tetragonal yttria-doped zirconia nanoparticles were afforded through a glycothermal reaction at a temperature as low as $220^{\circ}C$, using co-precipitated gels of $ZrCl_4$ and $YCl_3{\cdot}6H_2O$ as precursors and 1,4-butanediol as the solvent. The synthesized 3Y-TZP particles were characterized by X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), and Raman spectroscopy. The 3Y-TZP particles have a stable tetragonal phase only at glycothermal temperatures above $200^{\circ}C$. To investigate phase transition, the 3Y-TZP particles were heat treated from 400 to $1400^{\circ}C$ for 2 h. Raman analysis indicated that, after heat treatment, the tetragonal phase of the 3Y-TZP particles remained stable. The results of this study, therefore, suggest that 3Y-TZP powders can be prepared by the glycothermal method.