SC‐MEH‐MO  calculations on high T c  superconductors. 1: The YBa 2 Cu 8 O       26    +     cluster in YBa 2 Cu 3 O 7 | Zendy

Boudreaux Edward A. | Zendy; Baxter Eric | Zendy

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SC‐MEH‐MO calculations on high T c superconductors. 1: The YBa 2 Cu 8 O 26 + cluster in YBa 2 Cu 3 O 7

Author(s) -

Boudreaux Edward A.,

Baxter Eric

Publication year - 1991

Publication title -

international journal of quantum chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.484

H-Index - 105

eISSN - 1097-461X

pISSN - 0020-7608

DOI - 10.1002/qua.560390507

Subject(s) - superconductivity , antiferromagnetism , cluster (spacecraft) , lattice (music) , condensed matter physics , crystallography , high temperature superconductivity , computation , stoichiometry , materials science , chemistry , physics , mathematics , computer science , algorithm , acoustics , programming language

SC‐MEH‐MO calculations have been carried out on select clusters of the YBa 2 Cu 3 O 7 lattice structure. The results of an earlier computation on small CuO clusters are presented for comparison with the finding obtained on a YBa 2 Cu 8 O 26 + extended cluster. In the latter, the antiferromagnetic coupling of singularly occupied Cu and O levels is analyzed.

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