Berlin 2015 – scientific programme
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MA: Fachverband Magnetismus
MA 42: Topological Insulators I (jointly with DS, HL, O, TT)
MA 42.2: Talk
Thursday, March 19, 2015, 09:45–10:00, EB 202
First-principles calculation of quasiparticle spin interference and scattering processes on 3D topological insulators — •Philipp Rüßmann, Phivos Mavropoulos, Nguyen H. Long, and Stefan Blügel — Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA, D-52425 Jülich, Germany
We present density-functional calculations of the quasiparticle interference (QPI) due to scattering of electrons off magnetic and non-magnetic impurities at the surface of the strong topological insulator Bi2Te3. The focus of our work is the calculation and analysis of possible spin-dependent scattering processes and their relation to the QPI pattern observed in experiment. The presence of an impurity magnetic moment leads to broken time-reversal symmetry and the protection against back-scattering is lifted. Therefore, we investigate magnetic transition-metal adatoms as well as non-magnetic Bi and Te adatoms on Bi2Te3. Finally, we compare the QPI pattern and scattering processes at different energies around the Fermi energy and discuss the importance of the hexagonal warping of the constant energy contours.
The electronic structure calculations are carried out with our KKR-Green function method for scattering properties at defects [1]. We acknowledge financial support from the DFG (SPP-1666), from the VITI project of the Helmholtz Association and computational support from the JARA-HPC Centre at the RWTH Aachen University.
[1] N. H. Long, P. Mavropoulos, B. Zimmermann, D. S. G. Bauer, S. Blügel, and Y. Mokrousov, Phys. Rev. B 90, 064406 (2014).