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Sökning: swepub > Johansson Börje > Refereegranskat > Le Bihan T.

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  • Heathman, S., et al. (författare)
  • Structural investigation of californium under pressure
  • 2013
  • Ingår i: Physical Review B. Condensed Matter and Materials Physics. - : American Physical Society. - 1098-0121 .- 1550-235X. ; 87:21, s. 214111-
  • Tidskriftsartikel (refereegranskat)abstract
    • The high-pressure structural behavior of californium has been studied experimentally and theoretically up to 100 GPa. A valence change from divalent to trivalent forms was observed under modest pressure revealing californium to be the only actinide to exhibit more than one metallic valence at near to ambient conditions as is the case for cerium in the lanthanide series. Three metallic valencies and four different crystallographic phases were observed in californium as a function of pressure. High-pressure techniques, synchrotron radiation, and ab initio electronic structure calculations of total energies were used to investigate the material and to determine the role which californium's 5f electrons play in influencing these transitions. The crystallographic structures observed are similar to those found in the preceding actinide elements, curium and americium, with the initially localized 5f states becoming completely delocalized under the influence of high pressure.
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  • Heathman, S., et al. (författare)
  • The unique high-pressure behavior of curiurn probed further using alloys
  • 2007
  • Ingår i: Journal of Alloys and Compounds. - : Elsevier BV. - 0925-8388 .- 1873-4669. ; 444, s. 138-141
  • Tidskriftsartikel (refereegranskat)abstract
    • The changing role of the 5f electrons across the actinide series has been of prime interest for many years. The remarkable behavior of americium's 5f electrons under pressure was determined experimentally a few years ago and it precipitated a strong interest in the heavy element community. Theoretical treatments of americium's behavior under pressure followed and continue today. Experimental and theoretical findings regarding curium's behavior under pressure have shown that the pressure behavior of curium was not a mirror image of that for americium. Rather, one of the five crystallographic phases observed with curium (versus four for americium) was a unique monoclinic structure whose existence is due to a spin stabilization effect by curium's 5f(7) electronic configuration and its half-filled 5f-shell. We review briefly the behavior of pure curium under pressure but focus on the pressure behaviors of three curium alloys with the intent of comparing them with pure curium. An important experimental finding confirmed by theoretical computations, is that dilution of curium with its near neighbors is sufficient to prevent the formation of the unique C2/c phase that appears in pure Cm metal under pressure. As this unique C2/c phase is very sensitive to having a 5f7 configuration to maximize the magnetic spin polarization, dilution of this state with adjacent actinide neighbors reduces its stability.
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  • Vaitheeswaran, G., et al. (författare)
  • Elastic constants and high-pressure structural transitions in lanthanum monochalcogenides from experiment and theory
  • 2007
  • Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 75:18
  • Tidskriftsartikel (refereegranskat)abstract
    • The high-pressure structural behavior of lanthanum monochalcogenides is investigated by theory and experiment. Theory comprises density-functional calculations of LaS, LaSe, and LaTe with the general gradient approximation for exchange and correlation effects, as implemented within the full-potential linear muffin-tin orbital method. The experimental studies consist of high-pressure angle dispersive x-ray-diffraction investigations of LaS and LaSe up to a maximum pressure of 41 GPa. A structural phase transition from the NaCl-type to CsCl-type crystal structure is found to occur in all cases. The experimental transition pressures are 27-28 and 19 GPa for LaS and LaSe, respectively, while the calculated transition pressures are 29, 21, and 10 GPa for LaS, LaSe, and LaTe, respectively. The calculated ground-state properties such as equilibrium lattice constant, bulk modulus and its pressure derivative, and Debye temperatures are in good agreement with experimental results. Elastic constants are predicted from the calculations.
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  • Dubrovinsky, L., et al. (författare)
  • Iron-silica interaction at extreme conditions and the electrically conducting layer at the base of Earth's mantle
  • 2003
  • Ingår i: Nature. - : Springer Science and Business Media LLC. - 0028-0836 .- 1476-4687. ; 422:6927, s. 58-61
  • Tidskriftsartikel (refereegranskat)abstract
    • The boundary between the Earth's metallic core and its silicate mantle is characterized by strong lateral heterogeneity and sharp changes in density, seismic wave velocities, electrical conductivity and chemical composition(1-7). To investigate the composition and properties of the lowermost mantle, an understanding of the chemical reactions that take place between liquid iron and the complex Mg-Fe-Si-Al-oxides of the Earth's lower mantle is first required(8-15). Here we present a study of the interaction between iron and silica (SiO2) in electrically and laser-heated diamond anvil cells. In a multianvil apparatus at pressures up to 140 GPa and temperatures over 3,800 K we simulate conditions down to the core-mantle boundary. At high temperature and pressures below 40 GPa, iron and silica react to form iron oxide and an iron-silicon alloy, with up to 5 wt% silicon. At pressures of 85-140 GPa, however, iron and SiO2 do not react and iron-silicon alloys dissociate into almost pure iron and a CsCl-structured (B2) FeSi compound. Our experiments suggest that a metallic silicon-rich B2 phase, produced at the core-mantle boundary (owing to reactions between iron and silicate(2,9,10,13)), could accumulate at the boundary between the mantle and core and explain the anomalously high electrical conductivity of this region(6).
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  • Heathman, S., et al. (författare)
  • A high-pressure structure in curium linked to magnetism
  • 2005
  • Ingår i: Science. - : American Association for the Advancement of Science (AAAS). - 0036-8075 .- 1095-9203. ; 309:5731, s. 110-113
  • Tidskriftsartikel (refereegranskat)abstract
    • Curium ties at the center of the actinide series and has a half-filled shell. with seven 5f electrons spatially residing inside its radon core. As a function of pressure, curium exhibits five different crystallographic phases up to 100 gigapascals, of which all but one are also found in the preceding element, americium. We describe here a structure in curium, Cm III, with monoctinic symmetry, space group C2/c, found at intermediate pressures (between 37 and 56 gigapascals). Ab initio electronic structure calculations agree with the observed sequence of structures and establish that it is the spin polarization of curium's 5f electrons that stabilizes Cm Ill. The results reveal that curium is one of a few elements that has a lattice structure stabilized by magnetism.
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  • Resultat 1-9 av 9

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