Theory Department
Max Planck Institute of Microstructure Physics
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Abdelouahed, S., Henk, J.

Strong effect of substrate termination on Rashba spin-orbit splitting: Bi on BaTiO3(001) from first principles
Physical Review B 82, (19),pp 193411/1-4 (2010)
We demonstrate by first-principles calculations that the Rashba spin-orbit splitting in the 6p states of a Bi adlayer on BaTiO3(001) is strongly affected by the substrate termination. For the TiO2 termination the absolute splitting is very large (about 0.23 Å−1); in contrast, the splitting becomes strongly reduced for the BaO termination (less than 0.07 Å−1). Our findings are explained by the termination-dependent hybridization of the Bi surface states with electronic states in the substrate.

TH-2010-52