“School of Nano-Sciences”
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| Paper IPM / Nano-Sciences / 8131 |
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Based on the full potential linearized augmented plane wave method within LSDA and LSDA+U approximations the electronic band structures of YBa2Cu3O7 (Y123), PrBa2Cu3O7 (Pr123) and Pr(BaPr)Cu3O7 (PrBa) systems were calculated. Qualitative similarity between the band structures of Y123 and Pr123 systems shows that Pr123 must have similar electronic behaviors to Y123; both should be metal and become superconductor. The PrBa mis-substitution reduces metallic (superconducting) character of perfect Pr123 samples and can be responsible for suppression of metallic and superconducting characters of Pr123 samples.
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