k⋅p theory for two-dimensional transition metal dichalcogenide semiconductors


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KORMANYOS, Andor, Guido BURKARD, Martin GMITRA, Jaroslav FABIAN, Viktor ZÓLYOMI, Neil D. DRUMMOND, Vladimir FAL'KO, 2015. k⋅p theory for two-dimensional transition metal dichalcogenide semiconductors. In: 2D Materials. 2(2), 022001. eISSN 2053-1583. Available under: doi: 10.1088/2053-1583/2/2/022001

@article{Kormanyos2015theor-31486, title={k⋅p theory for two-dimensional transition metal dichalcogenide semiconductors}, year={2015}, doi={10.1088/2053-1583/2/2/022001}, number={2}, volume={2}, journal={2D Materials}, author={Kormanyos, Andor and Burkard, Guido and Gmitra, Martin and Fabian, Jaroslav and Zólyomi, Viktor and Drummond, Neil D. and Fal'ko, Vladimir}, note={Article Number: 022001} }

Kormanyos, Andor Burkard, Guido k⋅p theory for two-dimensional transition metal dichalcogenide semiconductors Fabian, Jaroslav We present k⋅p Hamiltonians parametrized 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 (TMDCs). We discuss the parametrization of the essential parts of the k⋅p Hamiltonians for MoS<sub>2</sub>, MoSe<sub>2</sub>, MoTe<sub>2</sub>, WS<sub>2</sub>, WSe<sub>2</sub>, and WTe<sub>2</sub>, including the spin-splitting and spin-polarization of the bands, and we briefly review the vibrational properties of these materials. We then use k⋅p theory to analyse optical transitions in two-dimensional TMDCs over a broad spectral range that covers the Van Hove singularities in the band structure (the M points). We also discuss the visualization of scanning tunnelling microscopy maps. Burkard, Guido Kormanyos, Andor terms-of-use Drummond, Neil D. eng Zólyomi, Viktor 2015 Drummond, Neil D. Fabian, Jaroslav 2015-07-23T12:30:54Z Gmitra, Martin Zólyomi, Viktor Gmitra, Martin Fal'ko, Vladimir 2015-07-23T12:30:54Z Fal'ko, Vladimir

Dateiabrufe seit 23.07.2015 (Informationen über die Zugriffsstatistik)

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