Antiferro-quadrupole state of orbital-degenerate Kondo lattice model with f^2 configuration

To clarify a key role of $f$ orbitals in the emergence of antiferro-quadrupole structure in PrPb$_{3}$, we investigate the ground-state property of an orbital-degenerate Kondo lattice model by numerical diagonalization techniques. In PrPb$_{3}$, Pr$^{3+}$ has a $4f^{2}$ configuration and the crystalline-electric-field ground state is a non-Kramers doublet $\Gamma_{3}$. In a $j$-$j$ coupling scheme, the $\Gamma_{3}$ state is described by two local singlets, each of which consists of two $f$ electrons with one in $\Gamma_{7}$ and another in $\Gamma_{8}$ orbitals. Since in a cubic structure, $\Gamma_{7}$ has localized nature, while $\Gamma_{8}$ orbitals are rather itinerant, we propose the orbital-degenerate Kondo lattice model for an effective Hamiltonian of PrPb$_{3}$. 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