The phase simulation of High-Tc superconductor compound YBa2Cu3-yPbyO6.5+δ
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The simulation of a possible change in a structural phase of superconducting compound YBa2Cu3-yPbyO6.5+δ was done for thesamples prepared by solid-state reaction represented by (y=0-0.5). Theoretically, the probability structural phase was derivedfrom a pure structure YBa2Cu3O6.5+δ, which had an orthorhombic phase with lattice constants (a=3.8203, b=3.8855, and c=11.6835 Å) and space group Pmmm. There is a partial variation in the orthorhombic unit cell from the pure phase throughthe substitution of Pb. There is a structural phase transition from orthorhombic to tetragonal phase at (y=0.2, 0.3). The limitedvariation in the lattice constant is around the theoretical values with the orthorhombic phase. The valency (+2) of Pb-ions tookplace in the position of Cu+2-ion in the composition YBa2Cu3-yPbyO6.5+δ. There is a sharp increase in the lattice constants (b,c) at y=0.4 with the remaining orthorhombic phase and space group Pmmm. The simulation exhibited the position of atomswithin the unit cell, which was a function of the bond's nature between different atoms and their effect on the conductivitybehavior with Pb substitution. The results predicted a linear relation between the c-axis and oxygen excess (δ).
Abstract
The simulation of a possible change in a structural phase of superconducting compound YBa2Cu3-yPbyO6.5+δ was done for thesamples prepared by solid-state reaction represented by (y=0-0.5). Theoretically, the probability structural phase was derivedfrom a pure structure YBa2Cu3O6.5+δ, which had an orthorhombic phase with lattice constants (a=3.8203, b=3.8855, and c=11.6835 Å) and space group Pmmm. There is a partial variation in the orthorhombic unit cell from the pure phase throughthe substitution of Pb. There is a structural phase transition from orthorhombic to tetragonal phase at (y=0.2, 0.3). The limitedvariation in the lattice constant is around the theoretical values with the orthorhombic phase. The valency (+2) of Pb-ions tookplace in the position of Cu+2-ion in the composition YBa2Cu3-yPbyO6.5+δ. There is a sharp increase in the lattice constants (b,c) at y=0.4 with the remaining orthorhombic phase and space group Pmmm. The simulation exhibited the position of atomswithin the unit cell, which was a function of the bond's nature between different atoms and their effect on the conductivitybehavior with Pb substitution. The results predicted a linear relation between the c-axis and oxygen excess (δ).
참고문헌 (25)
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