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First-principles study of oxygen ordering in YBa2Cu3O7-x
Uppsala University.ORCID iD: 0000-0002-9920-5393
Uppsala University.
2000 (English)In: Physica. C, Superconductivity, ISSN 0921-4534, E-ISSN 1873-2143, Vol. 341, 1997-1998 p.Article in journal (Refereed) Published
Abstract [en]

We have performed first-principles calculations considering different patterns of oxygen/vacancy ordering in the Cu-O chains of YBa2Cu3O7-x. From the total-energy values we determine the effective interactions of the oxygen atoms within the basal plane by using the cluster expansion technique. Furthermore, we discuss the effect of ordering to the density of states at the Fermi level.

Place, publisher, year, edition, pages
2000. Vol. 341, 1997-1998 p.
Keyword [en]
phase
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Physical Sciences
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URN: urn:nbn:se:kth:diva-20223DOI: 10.1016/S0921-4534(00)01201-6ISI: 000165855900225OAI: oai:DiVA.org:kth-20223DiVA: diva2:338916
Note
QC 20100525 QC 20120208 NR 20140804Available from: 2010-08-10 Created: 2010-08-10 Last updated: 2017-12-12Bibliographically approved

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Korzhavyi, Pavel A.

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