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Use of the cyclic model in the description of local properties of composite crystalline oxides

Evarestov, R. A. and Veryazov, Valera LU orcid (1992) p.355-373
Abstract
Using cyclic boundary conditions and LCAO basis allows one to reproduce both band and local properties of the electronic structure of a crystal. Electronic structure of a row of composite copper and lead crystalline oxides are studied within the CNDO approximation, and the local properties (atomic charges, bond orders, valencies) are analyzed. A comparison of the local properties of some high-Tc superconductors and related copper oxides are made.
Please use this url to cite or link to this publication:
author
and
publishing date
type
Chapter in Book/Report/Conference proceeding
publication status
published
host publication
Quantum Mechanical Cluster Calculations in Solid State Studies
pages
355 - 373
publisher
World Scientific Publishing
ISBN
978-981-02-0750-2
9810207506
language
English
LU publication?
no
id
140dd72a-1f36-4fa1-a08d-8d78dc0c912e
date added to LUP
2023-03-29 12:56:08
date last changed
2023-03-31 14:21:56
@inbook{140dd72a-1f36-4fa1-a08d-8d78dc0c912e,
  abstract     = {{Using cyclic boundary conditions and LCAO basis allows one to reproduce both band and local properties of the electronic structure of a crystal. Electronic structure of a row of composite copper and lead crystalline oxides are studied within the CNDO approximation, and the local properties (atomic charges, bond orders, valencies) are analyzed. A comparison of the local properties of some high-Tc superconductors and related copper oxides are made.}},
  author       = {{Evarestov, R. A. and Veryazov, Valera}},
  booktitle    = {{Quantum Mechanical Cluster Calculations in Solid State Studies}},
  isbn         = {{978-981-02-0750-2}},
  language     = {{eng}},
  pages        = {{355--373}},
  publisher    = {{World Scientific Publishing}},
  title        = {{Use of the cyclic model in the description of local properties of composite crystalline oxides}},
  year         = {{1992}},
}