Electronic properties of substitutions in the YBa2Cu3O7 anionic sublattice

✍ Scribed by S.N. Molotkov; S.S. Nazin; I.S. Smirnova; V.V. Tatarskii

• Publisher: Elsevier Science
• Year: 1990
• Tongue: English
• Weight: 472 KB
• Volume: 172
• Category: Article
• ISSN: 0921-4534
• DOI: 10.1016/0921-4534(90)90654-w

✦ Synopsis

The electronic energy band structure of the YBa2Cu306X compounds, where X=F, N, Cl, Brand I, has been calculated using a tight-binding method. Br and I atoms were found to have a considerable positive charge which is at variance with the crystal chemistry considerations, indicating that these atoms cannot replace oxygen in this crystal structure. Similar results were obtained for S, Te, Se and P.