The Electronic Structure of Copper Oxide Crystalline Compounds: II. Chemical Bonding in Copper–Oxygen Crystals

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Abstract

The crystalline structure of copper‐oxygen compounds with copper atom in the oxidation states I, II, and III is reviewed. A calculation is made of the electronic structure of the row of crystals with copper‐oxygen bonding. It is shown that the covalence effects are essential for copper oxide compounds containing copper atoms in oxydation states CuII and CuIII LUC‐CNDO calculations of La2CuO4 and YBa2Cu3Ox (x = 6,7) crystals are made. It is concluded that the higher copper valency is favourable for superconductivity.

Detaljer

Författare
Externa organisationer
  • Saint Petersburg State University
Forskningsområden

Ämnesklassifikation (UKÄ) – OBLIGATORISK

  • Teoretisk kemi
Originalspråkengelska
Sidor (från-till)201-212
Antal sidor12
Tidskriftphysica status solidi (b)
Volym158
Utgivningsnummer1
StatusPublished - 1990 jan 1
PublikationskategoriForskning
Peer review utfördJa
Externt publiceradJa