• Title/Summary/Keyword: Half-metals

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Electronic Structure and Half-Metallicity in the Zr2RuZ (Z = Ga, In, Tl, Ge, Sn, and Pb) Heusler Alloys

  • Eftekhari, A.;Ahmadian, F.
    • Journal of the Korean Physical Society
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    • v.73 no.9
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    • pp.1370-1376
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    • 2018
  • The electronic structures, magnetic properties and half-metallicity in $Zr_2RuZ$ (Z = Ga, In, Tl, Ge, Sn, and Pb) alloys with $AlCu_2Mn-$ and $CuHg_2Ti$-type structures were investigated using first-principles density functional theory (DFT) calculations. The calculations showed that $Zr_2RuIn$, $Zr_2RuTl$, $Zr_2RuSn$, and $Zr_2RuPb$ compounds with $CuHg_2Ti$-type structures were half-metallic ferromagnets with half-metallic band gaps of 0.18, 0.24, 0.22, and 0.27 eV, respectively. The half-metallicity originated from d-d and covalent hybridizations between the transition metals Zr and Ru. The total magnetic moments of the $Zr_2RuZ$ (Z = In, Tl, Sn, and Pb) compounds with $CuHg_2Ti$-type structures were integer values of $1{\mu}B$ and $2{\mu}B$, which is in agreement with Slater-Pauling rule ($M_{tot}=Z_{tot}-18$). Among these compounds, $Zr_2RuIn$ and $Zr_2RuTl$ were half-metals over relatively wide regions of the lattice constants, indicating that these two new Heusler alloys are ideal candidates for use in spintronic devices.

Analysis of Rolling Contact Fatigue of Ball Bearing with Various Hardness by X-ray Diffraction (BEARING소재 경도에 따른 구름접촉피로의 X선적 해석)

  • 이한영
    • Tribology and Lubricants
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    • v.17 no.3
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    • pp.209-215
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    • 2001
  • In view of the effects of the hardness of material on fatigue, rolling contact fatigue process in hard metals seems to differ from it in soft metals. This paper has been aimed to compare the rolling contact fatigue process according to the hardness of materials. Rolling contact fatigue tests using the ball bearings assembled with the inner race of four different hardness have been carried out. In addition, residual stress and half-value breadth on/below the inner raceway during individual rolling contact fatigue have been measured by X-ray diffraction. The results of this study showed that the change of residual stress and half-value breadth during the rolling contact fatigue on race way in hard metals is the same as in soft metals. However, plastic deformation by rolling contact in hard metals is in microscopic scale but only for soft metals in macroscopic scale.

The Energy Flow and Mineral Cycles in a Zoysia japonjca and a Miscanthus sinensis Ecosystem on Mt. Kwanak 9. The Cycles of Hg, Pb and Cd (관악산의 잔디와 억새 생태계에 있어서 에너지 흐름과 무기물의 순환 9.Hg,Pb와 Cd의 순환)

  • 심규철;장남기
    • Asian Journal of Turfgrass Science
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    • v.11 no.4
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    • pp.289-294
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    • 1997
  • The cycles of heavy metals, mercury, lead and cadmium, were investigated on in dynamic grassland ecosystems at a steady state in Zoysia japonica and Miscanthus sinensis in Mt. Kwanak, Korea. Estimates of decay constants of heavy metals based on experimental and methomatical model, were Hg 0.14, Pb 0.17 and Cd 0.41 of Z. japonica grassland, and Hg 0.33, Pb 0.13 and Cd 0.56 of M sinensis grassland. The durations of reaching half of initial amounts in Z. japonica and M. sinensis grassland, were Hg 4.95, Pb 4.07 and Cd 1.69 years, and Hg 2.10, Pb 5.33 and Cd 1.24 years respectively. Times needed for 99% decomposed were longer in Z. japonica than M. sinensis grassland. Decay velocity of constituents of surface soil layers were more rapidly in M. sinensis than Z. japonica grassland. Key words: Cycles of heavy metals, Mercury, Lead, Cadmium, Zoysia japonica. Miscanthus sineusis, Mt. Kwanak, Decay constants.

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Toxicity Evaluation of Single and Binary Mixture of Heavy Metals on the Growth and Phosphorus Removal Ability of Bacillus sp. (Bacillus sp.의 생장과 인 제거능에 대한 단일 및 2종 혼합 중금속의 독성 평가)

  • Kim, Deok-Won;Park, Ji-Su;Oh, Eun-Ji;Yoo, Jin;Kim, Deok-Hyeon;Chung, Keun-Yook
    • Journal of Environmental Science International
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    • v.30 no.11
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    • pp.945-956
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    • 2021
  • In this study, the effects of single and binary heavy metals toxicity on the growth and phosphorus removal ability of Bacillus sp.. known as be a phosphorus-removing microorganism, were quantitatively evaluated. Cd, Cu, Zn, Pb, Ni were used as heavy metals. As a result of analysis of variance of the half of inhibition concentration and half of effective concentration for each single heavy metal treatment group, the inhibitory effect on the growth of Bacillus sp. was Ni < Pb < Zn < Cu < Cd. And the inhibitory effect on phosphorus removal by Bacillus sp. was Ni < Pb < Zn < Cu < Cd. When analyzing the correlation between growth inhibition and phosphorus removal efficiency of a single heavy metal treatment group, a negative correlation was found (R2 = 0.815), and a positive correlation was found when the correlation between IC50 and EC50 was analyzed (R2 = 0.959). In all binary heavy metal treatment groups, the interaction was an antagonistic effect when evaluated using the additive toxicity index method. This paper is considered to be basic data on the toxic effects of heavy metals when phosphorus is removed using phosphorus removal microorganisms in wastewater.

Change in Geochemical Characteristics of Surface Sediments in the Nakdong River Main Stream (낙동강 본류에 분포하는 표층 퇴적물의 지화학적 특성 변화)

  • Kim, Shin;Lee, Kwonchul;Kim, Jueon;Jung, Kangyoung;Ahn, Jungmin;Kim, Hyounggeun;Lee, Injung;Shin, Dongseok;Yang, Deukseok
    • Journal of Environmental Science International
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    • v.26 no.3
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    • pp.311-324
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    • 2017
  • To certificate change in the geochemical characteristics of surface sediments in the main stream of the Nakdong River, surface sediments from 12 sampling sites during the first and second half year (total 24 sampling sites) were collected and analyzed for grain size, ignition loss, total organic carbon and heavy metal content. Surface sediments mainly composed of sand (coarse and medium sand) and fining changed from the first half to the second half of the year. Ignition loss, total organic carbon and heavy metals content increased in the second half of the year. Some heavy metals (Zn, Ni and Cu) were found to be at the lowest effect levels according to Ontario sediment quality guidelines. Additionally, most heavy metals were found to be at the non polluted level and level I according to USEPA sediment quality standards and National Institute of Environmental Research sediment pollution evaluation standard, respectively. The enrichment factor (< 1) and index of geoaccmulation (< 0) were non polluted in the study area. The correlation analysis results showed that ignition loss, total organic carbon and heavy metal content were highly correlated with grain size. Regarding changes in geochemical characteristics of surface sediments in the study area, grain size fine and organic matter and heavy metal content increased in the second half year. Nonetheless these results indicated pollution levels that did not adversely affect the benthos.

Electronic Structure and Magnetism of CrP/SrBi Interface: A First Principles Study

  • Bialek, Beata;Lee, Jae-Il
    • Journal of Magnetics
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    • v.12 no.3
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    • pp.93-96
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    • 2007
  • We investigated the electronic structure and magnetic properties of zinc-blende CrP/SrBi interface by using the all-electron full-potential linearized augmented plane wave method within the generalized gradient approximation. It is found that the half-metallicity is destroyed when the two half-metals are in contact. Magnetic moments of the atoms forming the supercell differ considerably from the respective values obtained for the bulk structures of the two materials. Cr atoms being and not being in contact with Bi atoms have magnetic moment 3.43 and $2.69{\mu}_B$, respectively. Bi atoms lose their majority electrons which results in their negative polarization. Alkaline Sr atoms are very weakly negatively polarized. The spin distribution within the supercell is such that well separated regions of positive and negative polarization are seen, especially around the layer of P atoms being in contact with the layer of Sr atoms.

Natural and Anthropogenic Heavy Metal Deposition to the Snow in King George Island, Antarctic Peninsula

  • Hong, Sung-Min;Lluberas, Albert;Lee, Gang-Woong;Park, Jun-Kun
    • Ocean and Polar Research
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    • v.24 no.3
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    • pp.279-287
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    • 2002
  • Successive 24 snow samples, collected from a 1.2m snow pit at a site on the summit of Main Dome in King George Island, Antarctic Peninsula, were measured for heavy metals such as Pb, Cd, Cu, and Zn and other chemical species. The mean concentrations of heavy metals are 3.48pg/g for Pb, 0.10pg/g for Cd, 16.6 pg/g for Cu and 15.8 pg/g for Zn, respectively. Pb and Cd concentrations observed in our samples are very comparable to those reported for recent snow at other Antarctic sites, while Zn and Cu levels are much higher than those at other sites. The annual fallout fluxes of all heavy metals approximately calculated are, however, much greater in King George Island than at other sites. With respect to the estimates of natural contributions, sea salt spray is found to be a major contributor to Cd and Zn inputs to the snow and minor to Cu inputs. On the other hand, the anthropogenic input can account for a large part of Pb concentrations. A tentative estimate represents that local emissions could be responsible for more than half of the excess Pb flux to the snow in King George Island.