Possible Organic Analogues to Copper Oxides: Applications of a J-Model
- 1 May 1988
- journal article
- Published by IOP Publishing in Japanese Journal of Applied Physics
- Vol. 27 (5A) , L766
- https://doi.org/10.1143/jjap.27.l766
Abstract
Ab initio MO calculations were carried out for diradical, polyradical and cation-radical states of azomethyne-ylide dimer and clusters. The calculated results were applied to a molecular design of possible organic analogues to copper-oxide chains and planes in YBa2Cu3O x and related species. These organic analogues have molecular skeletons similar to those of conducting polymers and graphite, although their electronic structures are quite different because of electron and spin correlations.Keywords
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