Abstract
We use a combined ab initio calculations and k·p theory based approach to derive a low-energy effective Hamiltonian for monolayer MoS 2 at the K point of the Brillouin zone. It captures the features which are present in first-principles calculations but not explained by the theory of Xiao, namely the trigonal warping of the valence and conduction bands, the electron-hole symmetry breaking, and the spin splitting of the conduction band. We also consider other points in the Brillouin zone which might be important for transport properties. Our findings lead to a more quantitative understanding of the properties of this material in the ballistic limit.
Original language | English |
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Article number | 045416 |
Journal | Physical Review B - Condensed Matter and Materials Physics |
Volume | 88 |
Issue number | 4 |
DOIs | |
Publication status | Published - 9 Jul 2013 |
Research Beacons, Institutes and Platforms
- National Graphene Institute