| Issue |
EPL
Volume 97, Number 3, February 2012
|
|
|---|---|---|
| Article Number | 37006 | |
| Number of page(s) | 5 | |
| Section | Condensed Matter: Electronic Structure, Electrical, Magnetic and Optical Properties | |
| DOI | https://doi.org/10.1209/0295-5075/97/37006 | |
| Published online | 06 February 2012 | |
Effects of Ca doping and O deficiency on the charge distribution in the vicinity of a 45° [001] grain boundary in YBa2Cu3O7
1
KAUST, PSE Division - Thuwal 23955-6900, Kingdom of Saudi Arabia
2
Institut für Physik, Universität Augsburg - 86135 Augsburg, Germany, EU
a
udo.schwingenschlogl@kaust.edu.sa
Received:
25
November
2011
Accepted:
4
January
2012
The charge redistribution at grain boundaries is critical for the applicability of high-Tc 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 YBa2Cu3O7 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 CuO2 planes displays a very complex spatial pattern, which deviates even qualitatively from the naive expectation.
PACS: 73.20.-r – Electron states at surfaces and interfaces / 74.72.-h – Cuprate superconductors / 74.25.Jb – Electronic structure (photoemission, etc.)
© EPLA, 2012
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