Electronic structure of Pr{sub 1{minus}x}Y{sub x}Ba{sub 2}Cu{sub 3}O{sub y} (x=0, 0.5, and 1.0)

Journal Article · Fri Aug 01 04:00:00 EDT 1997 · Physical Review, B: Condensed Matter

DOI:https://doi.org/10.1103/PhysRevB.56.3494· OSTI ID:528115

Kakinuma, K; Fueki, K ^[1]

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1. Department of Industrial Chemistry, Faculty of Science and Technology, Science University of Tokyo, Yamazaki, Noda-shi, Chiba 278 (Japan)

In order to elucidate the reason why PrBa{sub 2}Cu{sub 3}O{sub y}is not a superconductor, we examined the Pr valence and measured the oxygen nonstoichiometry and the conductivity at temperatures up to 1200 K for three kinds of oxides, PrBa{sub 2}Cu{sub 3}O{sub y}, (Pr{sub 0.5}Y{sub 0.5})Ba{sub 2}Cu{sub 3}O{sub y}, and YBa{sub 2}Cu{sub 3}O{sub y}. The valence of Pr was found to be +3. Any difference was not found in oxygen nonstoichiometry and conductivity among three kinds of oxides. We analyzed the data of oxygen nonstoichiometry on the basis of defect thermodynamics and calculated the numbers of Cu{sup +}, Cu{sup 2+}, and Cu{sup 3+} ions in the unit cell as a function of y. The number of Cu{sup 3+} ions (the amount of holes) was found to be proportional to ({Delta}y){sup 1.6}({Delta}y=y{minus}6.0), whereas the conductivity was found to be proportional to ({Delta}y){sup 3.2} in these oxides. We interpreted the remarkable increase of {sigma} with {Delta}y as an evidence of the increase of both mobility and hole concentration with {Delta}y. At high temperatures, we detected the conductivity minimum {sigma}{sub min} which was found in the log{sub 10}{sigma}{minus}log{sub 10}P{sub O{sub 2}} plot at constant temperatures. From the slope of the Arrhenius plot for {sigma}{sub min}, the band gap was determined to be 1.21, 1.32, and 1.37 eV for PrBa{sub 2}Cu{sub 3}O{sub y}, (Pr{sub 0.5}Y{sub 0.5})Ba{sub 2}Cu{sub 3}O{sub y} and YBa{sub 2}Cu{sub 3}O{sub y}, respectively. We determined the conductivity of the same oxygen content as a function of temperature from 4.2 to 1200 K. The energy gap {Delta}E between the acceptor level and the top of the valence band was calculated from the slope of the Arrhenius plot for conductivity. {Delta}E for superconducting YBa{sub 2}Cu{sub 3}O{sub y} and (Pr{sub 0.5}Y{sub 0.5})Ba{sub 2}Cu{sub 3}O{sub y} were zero at 300 K but that for nonsuperconducting PrBa{sub 2}Cu{sub 3}O{sub y} was 20 meV at 100 K even for y=6.93. (Abstract Truncated)

• OSTI ID: 528115
• Journal Information: Physical Review, B: Condensed Matter, Journal Name: Physical Review, B: Condensed Matter Journal Issue: 6 Vol. 56; ISSN PRBMDO; ISSN 0163-1829
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
BARIUM OXIDES
CARRIER DENSITY
CARRIER MOBILITY
CHARGED-PARTICLE TRANSPORT
COPPER OXIDES
ELECTRIC CONDUCTIVITY
ELECTRONIC STRUCTURE
ENERGY GAP
HIGH-TC SUPERCONDUCTORS
HOLE MOBILITY
IMPURITIES
PRASEODYMIUM OXIDES
STOICHIOMETRY
SUPERCONDUCTIVITY
THERMODYNAMICS
VALENCE
YTTRIUM OXIDES