196 research outputs found
Antiferro-quadrupole state of orbital-degenerate Kondo lattice model with f^2 configuration
To clarify a key role of orbitals in the emergence of
antiferro-quadrupole structure in PrPb, we investigate the ground-state
property of an orbital-degenerate Kondo lattice model by numerical
diagonalization techniques. In PrPb, Pr has a
configuration and the crystalline-electric-field ground state is a non-Kramers
doublet . In a - coupling scheme, the state is
described by two local singlets, each of which consists of two electrons
with one in and another in orbitals. Since in a cubic
structure, has localized nature, while orbitals are
rather itinerant, we propose the orbital-degenerate Kondo lattice model for an
effective Hamiltonian of PrPb. We show that an antiferro-orbital state is
favored by the so-called double-exchange mechanism which is characteristic of
multi-orbital systems.Comment: 3 pages, 3 figures, Proceedings of Skutterudite2007 (September 26-30,
2007, Kobe
Determination of the high-pressure crystal structure of BaWO4 and PbWO4
We report the results of both angle-dispersive x-ray diffraction and x-ray
absorption near-edge structure studies in BaWO4 and PbWO4 at pressures of up to
56 GPa and 24 GPa, respectively. BaWO4 is found to undergo a pressure-driven
phase transition at 7.1 GPa from the tetragonal scheelite structure (which is
stable under normal conditions) to the monoclinic fergusonite structure whereas
the same transition takes place in PbWO4 at 9 GPa. We observe a second
transition to another monoclinic structure which we identify as that of the
isostructural phases BaWO4-II and PbWO4-III (space group P21/n). We have also
performed ab initio total energy calculations which support the stability of
this structure at high pressures in both compounds. The theoretical
calculations further find that upon increase of pressure the scheelite phases
become locally unstable and transform displacively into the fergusonite
structure. The fergusonite structure is however metastable and can only occur
if the transition to the P21/n phases were kinetically inhibited. Our
experiments in BaWO4 indicate that it becomes amorphous beyond 47 GPa.Comment: 46 pages, 11 figures, 3 table
Radiation hardness qualification of PbWO4 scintillation crystals for the CMS Electromagnetic Calorimeter
This is the Pre-print version of the Article. The official published version can be accessed from the link below - Copyright @ 2010 IOPEnsuring the radiation hardness of PbWO4 crystals was one of the main priorities during the construction of the electromagnetic calorimeter of the CMS experiment at CERN. The production on an industrial scale of radiation hard crystals and their certification over a period of several years represented a difficult challenge both for CMS and for the crystal suppliers. The present article reviews the related scientific and technological problems encountered
High-pressure structural study of the scheelite tungstates CaWO4 and SrWO4
Angle-dispersive x-ray diffraction (ADXRD) and x-ray absorption near edge
structure (XANES) measurements have been performed in the AWO4 tungstates CaWO4
and SrWO4 under high pressure up to approximately 20 GPa. Similar phase
transitions and phase transition pressures have been observed for both
tungstates using the two techniques in the studied pressure range. Both
materials are found to undergo a pressure-induced scheelite-to-fergusonite
phase transition under sufficiently hydrostatic conditions. Our results are
compared to those found previously in the literature and supported by ab initio
total energy calculations. From the total energy calculations we have also
predicted a second phase transition from the fergusonite structure to a new
structure identified as Cmca. Finally, a linear relationship between the charge
density in the AO8 polyhedra of ABO4 scheelite-related structures and the bulk
modulus is discussed and used to predict the bulk modulus of other materials,
like zircon.Comment: 52 pages, 9 figure, 4 table
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