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HL: Fachverband Halbleiterphysik

HL 11: Transition-metal dichalcogenides and boron nitride (with O)

HL 11.1: Talk

Monday, March 16, 2015, 11:45–12:00, ER 270

k·p theory for two-dimensional transition metal dichalcogenide semiconductors — •Andor Kormanyos and Guido Burkard — University of Konstanz

We present k·p Hamiltonians (for a review see [1]) parametrised by ab initio density functional theory calculations to describe the dispersion of the valence and conduction bands at their extrema (the K, Q, Γ, and M points of the hexagonal Brillouin zone) in atomic crystals of semiconducting monolayer transition metal dichalcogenides. We review the parametrisation of the essential parts of the k·p Hamiltonians for MoS₂, MoSe₂, WS₂, and WSe₂, including the spin-splitting and spin-polarisation of the bands We use k·p theory to analyse:

i) optical transitions in two-dimensional transition metal dichalcogenides over a broad spectral range;

ii) to discuss magnetotransport properties of the charge carriers in the K and −K valleys.

A. Kormányos, G. Burkard et al, arXiv:1410.6666