MEM Analysis on Electron Density Distribution of Superconductors, Pb_2Sr_2Y_<0.90>Sr_<0.10>Cu_3O_8, Pb_2Sr_2Y_<1-x>Ca_xCu_3O_8(x=0.25 and 0.41)and Pb_2Sr_2Ho_<0.64>Ca_<0.36>Cu_3O_8

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Detailed crystal structures of high-<I>T</I><SUB>c</SUB> superconductors Pb<SUB>2</SUB>Sr<SUB>2</SUB>Y<SUB>0.90</SUB>Sr<SUB>0.10</SUB>Cu<SUB>3</SUB>O<SUB>8</SUB>, Pb<SUB>2</SUB>Sr<SUB>2</SUB>Y<SUB>1−<I>x</I></SUB>Ca<I><SUB>x</SUB></I>Cu<SUB>3</SUB>O<SUB>8</SUB> (<I>x</I>=0.25 and 0.41) and Pb<SUB>2</SUB>Sr<SUB>2</SUB>Ho<SUB>0.64</SUB>Ca<SUB>0.36</SUB>Cu<SUB>3</SUB>O<SUB>8</SUB> were successfully determined by means of single crystal X-ray diffraction at room temperature. Space symmetry changes from C2/m (<I>x</I>=0.10 and 0.25) to Cmmm (<I>x</I>=0.36 and 0.41) with increasing divalent cation concentration, <I>x</I>. Their electron density distributions are determined by means of the maximum entropy method (MEM). Two- or four-splitting oxygen peaks clearly appear in the electron density maps of PbO plane, which is consistent with oxygen disorder models introduced to the present structure determination. In the electron density maps of monovalent copper plane, no peak corresponding to excess oxygens was observed at the 1×10<SUP>3</SUP> e/nm<SUP>3</SUP> contour level. In the vicinities of divalent copper in the conducting plane, some anomalous electron density distribution is represented in the yttrium compounds.

収録刊行物

  • Materials transactions, JIM

    Materials transactions, JIM 39(5), 562-569, 1998-05

    日本金属学会

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