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Updated: Jun 21, 2026

Visualizing Uniaxial-strain Manipulation of Antiferromagnetic Domains in Fe1+YTe Using a Spin-polarized Scanning Tunneling Microscope
Published on: March 24, 2019
First-principles calculations of electronic states and self-doping effects at a 45 degrees grain boundary in the high
U Schwingenschlögl1, C Schuster
1Institut für Physik, Universität Augsburg, 86135 Augsburg, Germany, and KAUST, PCSE Division, P.O. Box 55455, Jeddah 21534, Saudi Arabia.
Abstract:
The charge redistribution at grain boundaries determines the applicability of high-T_{c} superconductors in electronic devices because the transport across the grains can be hindered considerably. We investigate the local charge transfer and the modification of the electronic states in the vicinity of the grain-grain interface by ab initio calculations for a (normal-state) 45 degrees -tilted [001] grain boundary in YBa2Cu3O7. Our results explain the suppressed interface transport and the influence of grain boundary doping in a quantitative manner, in accordance with the experimental situation. The charge redistribution is found to be strongly inhomogeneous, which has a substantial effect on transport properties since it gives rise to a self-doping of 0.10+/-0.02 holes per Cu atom.
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