Effects of Ca doping and O deficiency on the charge distribution in the vicinity of a 45° [001] grain boundary in YBa2Cu3O7

Handle URI:
http://hdl.handle.net/10754/562084
Title:
Effects of Ca doping and O deficiency on the charge distribution in the vicinity of a 45° [001] grain boundary in YBa2Cu3O7
Authors:
Schwingenschlögl, Udo ( 0000-0003-4179-7231 ) ; Schuster, Cosima B.
Abstract:
The charge redistribution at grain boundaries is critical for the applicability of high-T c superconductors in electronic devices, because it determines the transport across the material. We investigate the charge transfer and the alterations of the electronic states due to local doping of a normal-state 45°-tilted [001] grain boundary in YBa 2Cu 3O 7 by means of first-principles calculations. Considering Ca doping and O deficiency as prototypical modifications we demonstrate that the redistribution of the charge carriers in the CuO 2 planes displays a very complex spatial pattern, which deviates even qualitatively from the naive expectation. Copyright © EPLA, 2012.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)
Publisher:
IOP Publishing
Journal:
EPL (Europhysics Letters)
Issue Date:
1-Feb-2012
DOI:
10.1209/0295-5075/97/37006
Type:
Article
ISSN:
02955075
Sponsors:
We acknowledge the financial support by the Deutsche Forschungsgemeinschaft (TRR 80).
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorSchwingenschlögl, Udoen
dc.contributor.authorSchuster, Cosima B.en
dc.date.accessioned2015-08-03T09:44:25Zen
dc.date.available2015-08-03T09:44:25Zen
dc.date.issued2012-02-01en
dc.identifier.issn02955075en
dc.identifier.doi10.1209/0295-5075/97/37006en
dc.identifier.urihttp://hdl.handle.net/10754/562084en
dc.description.abstractThe charge redistribution at grain boundaries is critical for the applicability of high-T c superconductors in electronic devices, because it determines the transport across the material. We investigate the charge transfer and the alterations of the electronic states due to local doping of a normal-state 45°-tilted [001] grain boundary in YBa 2Cu 3O 7 by means of first-principles calculations. Considering Ca doping and O deficiency as prototypical modifications we demonstrate that the redistribution of the charge carriers in the CuO 2 planes displays a very complex spatial pattern, which deviates even qualitatively from the naive expectation. Copyright © EPLA, 2012.en
dc.description.sponsorshipWe acknowledge the financial support by the Deutsche Forschungsgemeinschaft (TRR 80).en
dc.publisherIOP Publishingen
dc.titleEffects of Ca doping and O deficiency on the charge distribution in the vicinity of a 45° [001] grain boundary in YBa2Cu3O7en
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentMaterials Science and Engineering Programen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalEPL (Europhysics Letters)en
dc.contributor.institutionInstitut für Physik, Universität Augsburg, 86135 Augsburg, Germanyen
kaust.authorSchwingenschlögl, Udoen
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