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

Evarestov, R. A. and Veryazov, V. A. LU orcid (1990) In Physica Status Solidi (B) 158(1). p.201-212
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.

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author
and
publishing date
type
Contribution to journal
publication status
published
subject
in
Physica Status Solidi (B)
volume
158
issue
1
pages
12 pages
publisher
John Wiley & Sons Inc.
external identifiers
  • scopus:1642575861
ISSN
0370-1972
DOI
10.1002/pssb.2221580119
language
English
LU publication?
no
id
3e3b4ce2-e86e-4e64-90d9-9d307d3db5a8
date added to LUP
2019-05-22 14:37:10
date last changed
2021-09-19 04:13:51
@article{3e3b4ce2-e86e-4e64-90d9-9d307d3db5a8,
  abstract     = {{<p>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 Cu<sup>II</sup> and Cu<sup>III</sup> LUC‐CNDO calculations of La<sub>2</sub>CuO<sub>4</sub> and YBa<sub>2</sub>Cu<sub>3</sub>O<sub>x</sub> (x = 6,7) crystals are made. It is concluded that the higher copper valency is favourable for superconductivity.</p>}},
  author       = {{Evarestov, R. A. and Veryazov, V. A.}},
  issn         = {{0370-1972}},
  language     = {{eng}},
  month        = {{01}},
  number       = {{1}},
  pages        = {{201--212}},
  publisher    = {{John Wiley & Sons Inc.}},
  series       = {{Physica Status Solidi (B)}},
  title        = {{The Electronic Structure of Copper Oxide Crystalline Compounds : II. Chemical Bonding in Copper–Oxygen Crystals}},
  url          = {{http://dx.doi.org/10.1002/pssb.2221580119}},
  doi          = {{10.1002/pssb.2221580119}},
  volume       = {{158}},
  year         = {{1990}},
}