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

R. A. Evarestov; Valera Veryazov

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

Saint Petersburg State University

Forskningsoutput: Kapitel i bok/rapport/Conference proceeding › Kapitel samlingsverk › Forskning › Peer review

Sammanfattning

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.

Originalspråk	engelska
Titel på värdpublikation	Quantum Mechanical Cluster Calculations in Solid State Studies
Utgivningsort	Singapore
Förlag	World Scientific Publishing
Sidor	355-373
ISBN (tryckt)	978-981-02-0750-2 , 9810207506
Status	Published - 1992
Externt publicerad	Ja

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title = "Use of the cyclic model in the description of local properties of composite crystalline oxides",

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 Valera Veryazov",

year = "1992",

language = "English",

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booktitle = "Quantum Mechanical Cluster Calculations in Solid State Studies",

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Use of the cyclic model in the description of local properties of composite crystalline oxides. / Evarestov, R. A.; Veryazov, Valera.
Quantum Mechanical Cluster Calculations in Solid State Studies. Singapore: World Scientific Publishing, 1992. s. 355-373.

Forskningsoutput: Kapitel i bok/rapport/Conference proceeding › Kapitel samlingsverk › Forskning › Peer review

TY - CHAP

T1 - Use of the cyclic model in the description of local properties of composite crystalline oxides

AU - Evarestov, R. A.

AU - Veryazov, Valera

PY - 1992

Y1 - 1992

N2 - 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.

AB - 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.

M3 - Book chapter

SN - 978-981-02-0750-2

SN - 9810207506

SP - 355

EP - 373

BT - Quantum Mechanical Cluster Calculations in Solid State Studies

PB - World Scientific Publishing

CY - Singapore

ER -

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

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