Monolayer MoS2: trigonal warping, "Γ-valley", and spin-orbit coupling effects

Abstract

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.

new references and a new appendix added, presentation improved

References in corpus (8)

• Valley polarization in MoS2 monolayers by optical pumping
• Quasiparticle band structures and optical properties of strained monolayer MoS2 and WS2
• Large and tunable photo-thermoelectric effect in single-layer MoS2
• Robust optical emission polarization in MoS2 monolayers through selective valley excitation
• Intrinsic spin Hall effect in monolayers of group-VI dichalcogenides: A first-principles study
• Intervalley Scattering and Localization Behaviors of Spin-Valley Coupled Dirac Fermions
• Unconventional Quantum Hall Effect and Tunable Spin Hall Effect in MoS2 Trilayers
• Intrinsic and substrate induced spin-orbit interaction in chirally stacked trilayer graphene

Cited by in corpus (220)

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• Theory of field-modulated spin-valley-orbital pseudospin physics
• Trigonal warping effects on optical properties of anomalous Hall materials
• Complete Spin and Valley Polarization by Total External Reflection from Potential Barriers in Bilayer Graphene and Monolayer Transition Metal Dichalcogenides
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