Regensburg 2016 – wissenschaftliches Programm

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MA: Fachverband Magnetismus

MA 17: Poster Session I

MA 17.33: Poster

Dienstag, 8. März 2016, 09:30–12:30, Poster B1

Visualisation of electric dipole matrix elements in Brillouin zone — •Ondřej Stejskal, Radek Ješko, Rudolf Sýkora, and Jaroslav Hamrle — IT4Innovations, VSB-Technical University of Ostrava, Czech Republic

Optic and magneto-optic properites of crystals are determined by the well-known Kubo formula [1] for direct inter-band transitions. It states that the absorption of a photon followed by the excitation of electron in solids is governed by electric dipole element ⟨ i|p|f ⟩, where |i⟩, |f⟩ are initial and final electron states and p is the momentum operator. In order to understand in detail the electric dipole elements, we visualise them in the reciprocal space on surfaces with constant energy difference between initial and final electron bands. It allows us to identify hot-spots contributing to the magneto-optic response. The dipole elements are calculated using Wien2k package [2] and visualised for nonmagnetic bcc W and ferromagnetic bcc Fe.

[1] C. Wang and J. Callaway, Phys. Rev. B 9, 4897 (1974)

[2] P. Blaha, K. Schwarz, G. Madsen, D. Kvasnicka and J. Luitz, WIEN2k, 2001