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1993 | 84 | 1 | 21-42
Article title

Magnetism Within the Limitations of the LDA Band Structure Calculations

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Content
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Languages of publication
EN
Abstracts
EN
We discuss the limitations of the local density approximation for high-temperature superconductors and related to them parent antiferromagnetic insulators. The calculated band-gap accuracy is pointed out for two cases: C_{60}-FCC and YBa_{2}Cu_{3}O_{6}. We also compare the results for parent CaCuO_{2} and NiO systems, as well as discuss the role of gradient and self-energy (GW) corrections for the Mott insulators.
Keywords
EN
Publisher

Year
Volume
84
Issue
1
Pages
21-42
Physical description
Dates
published
1993-07
Contributors
author
  • Department of Materials and Metallurgical Engineering, Queen's University, Kingston, Ont. K7L3N6, Canada
References
Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv84z102kz
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