Use of the cyclic model in the description of local properties of composite crystalline oxides
(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.
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- author
- Evarestov, R. A. and Veryazov, Valera LU
- publishing date
- 1992
- 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}}, }