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

Udo Schwingenschlögl; Cosima B. Schuster

doi:10.1209/0295-5075/97/37006

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

Udo Schwingenschlögl, Cosima B. Schuster

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2 Scopus citations

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.

Original language	English (US)
Pages (from-to)	37006
Journal	EPL (Europhysics Letters)
Volume	97
Issue number	3
DOIs	https://doi.org/10.1209/0295-5075/97/37006
State	Published - Feb 6 2012

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: We acknowledge the financial support by the Deutsche Forschungsgemeinschaft (TRR 80).

ASJC Scopus subject areas

General Physics and Astronomy

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10.1209/0295-5075/97/37006

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

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 {\textcopyright} EPLA, 2012.",

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AB - 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.

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

Abstract

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