Publikation: Monolayer MoS2 : Trigonal warping, the Γ valley, and spin-orbit coupling effects
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Physical Review B. 2013, 88(4). ISSN 1098-0121. eISSN 1095-3795. Available under: doi: 10.1103/PhysRevB.88.045416
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We use a combined ab initio calculations and k·p theory based approach to derive a low-energy effective Hamiltonian for monolayer MoS2 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 et al. [ Phys Rev Lett 108 196802 (2012)], 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.
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KORMÁNYOS, Andor, Viktor ZÓLYOMI, Neil D. DRUMMOND, Péter RAKYTA, Guido BURKARD, Vladimir I. FAL'KO, 2013. Monolayer MoS2 : Trigonal warping, the Γ valley, and spin-orbit coupling effects. In: Physical Review B. 2013, 88(4). ISSN 1098-0121. eISSN 1095-3795. Available under: doi: 10.1103/PhysRevB.88.045416BibTex
@article{Kormanyos2013Monol-24790,
year={2013},
doi={10.1103/PhysRevB.88.045416},
title={Monolayer MoS<sub>2</sub> : Trigonal warping, the Γ valley, and spin-orbit coupling effects},
number={4},
volume={88},
issn={1098-0121},
journal={Physical Review B},
author={Kormányos, Andor and Zólyomi, Viktor and Drummond, Neil D. and Rakyta, Péter and Burkard, Guido and Fal'ko, Vladimir I.}
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<dcterms:abstract xml:lang="eng">We use a combined ab initio calculations and k·p theory based approach to derive a low-energy effective Hamiltonian for monolayer MoS<sub>2</sub> 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 et al. [ Phys Rev Lett 108 196802 (2012)], 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.</dcterms:abstract>
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