Regensburg 2016 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 15: Poster session I

MM 15.15: Poster

Montag, 7. März 2016, 18:00–20:00, Poster B3

Theoretical investigation of BiTeX (X=Cl,Br,I): Crystal structure and optical conductivity — •René Wirnata1, Sebastian Schwalbe1, Giulio A.H. Schober2, Jens Kortus1, and Ronald Starke11TU Freiberg, Institute for Theoretical Physics, Germany — 2University of Heidelberg, Institute for Theoretical Physics, Germany

Recently, the group of bismuth tellurohalides (BiTeX, X=Cl,Br,I) has been discovered to show a giant bulk Rashba splitting [1] that can be used e.g. in spintronics applications or magneto-optical devices [2,3]. Starting from X-ray data [4], we have constructed mono and double layer models of the experimental crystal systems. Using density functional theory, we discover a graphene/graphite-like band-crossing, which can also be observed in the low-frequency region of the optical response tensor. This may provide a new method for structural characterization by performing optical conductivity measurements.

Furthermore, this materials class shows a layered electron localization around the X and Te atoms, which manifests itself in the form of an increased conductivity in this plane.
Bahramy, M. S. et al., Phys. Rev. B, vol. 84, p. 041202
Lee, J. S. and Schober, G. A. H. et al., PRL, vol. 107, p. 117401
Demkó, L. and Schober, G. A. H. et al., PRL, vol. 109, p. 167401
Shevelkov, A. V. et al., J. Sol. St. Chem., vol. 114, pp. 379 - 384

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