TY - JOUR
T1 - Effects of Ca doping and O deficiency on the charge distribution in the vicinity of a 45° [001] grain boundary in YBa2Cu3O7
AU - Schwingenschlögl, Udo
AU - Schuster, Cosima B.
N1 - KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: We acknowledge the financial support by the Deutsche Forschungsgemeinschaft (TRR 80).
PY - 2012/2/6
Y1 - 2012/2/6
N2 - 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.
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.
UR - http://hdl.handle.net/10754/562084
UR - https://iopscience.iop.org/article/10.1209/0295-5075/97/37006
UR - http://www.scopus.com/inward/record.url?scp=84857082407&partnerID=8YFLogxK
U2 - 10.1209/0295-5075/97/37006
DO - 10.1209/0295-5075/97/37006
M3 - Article
SN - 0295-5075
VL - 97
SP - 37006
JO - EPL (Europhysics Letters)
JF - EPL (Europhysics Letters)
IS - 3
ER -