Published September 15, 2004 | Version v1
Journal article Metadata-only

Molecular orbital analysis of oxygen vacancy in YBa2Cu3O7-δ

Creators

  • 1. Departamento de Quimica Fundamental, Universidade Federal de Pernambuco, Cidade Universitaria, Recife, PE 50740-540 (Brazil)

Description

Molecular orbital calculations on a cluster model representing the unit cell of YBa2Cu3O7-δ show that the fully oxygenated sample exhibits large HOMO-LUMO energy gaps but with the oxygen O(1) vacancy the appropriated superconducting gaps are obtained

Additional details

Identifiers

DOI
10.1016/j.physc.2004.07.007;
PII
S0921-4534(04)01105-0;

Publishing Information

Journal Title
Physica. C, Superconductivity
Journal Volume
411
Journal Issue
3-4
Journal Page Range
p. 148-151
ISSN
0921-4534
CODEN
PHYCE6

INIS

Country of Publication
Netherlands
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
36061950
Subject category
S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
Descriptors DEI
BARIUM COMPOUNDS; CUPRATES; ENERGY GAP; HIGH-TC SUPERCONDUCTORS; MOLECULAR ORBITAL METHOD; OXYGEN; VACANCIES; YTTRIUM COMPOUNDS
Descriptors DEC
ALKALINE EARTH METAL COMPOUNDS; CALCULATION METHODS; COPPER COMPOUNDS; CRYSTAL DEFECTS; CRYSTAL STRUCTURE; ELEMENTS; NONMETALS; OXYGEN COMPOUNDS; POINT DEFECTS; SUPERCONDUCTORS; TRANSITION ELEMENT COMPOUNDS; TYPE-II SUPERCONDUCTORS

Optional Information

Copyright
Copyright (c) 2004 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.