Type of Publication: | Journal article |
URI (citable link): | http://nbn-resolving.de/urn:nbn:de:bsz:352-0-290145 |
Author: | Kormanyos, Andor; Burkard, Guido; Gmitra, Martin; Fabian, Jaroslav; Zólyomi, Viktor; Drummond, Neil D.; Fal'ko, Vladimir |
Year of publication: | 2015 |
Published in: | 2D Materials ; 2 (2015), 2. - 022001. - eISSN 2053-1583 |
DOI (citable link): | https://dx.doi.org/10.1088/2053-1583/2/2/022001 |
Summary: |
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 MoS2, MoSe2, MoTe2, WS2, WSe2, and WTe2, 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.
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Subject (DDC): | 530 Physics |
Keywords: | Soft matter, liquids and polymers Condensed matter: electrical, magnetic and optical Semiconductors Surfaces, interfaces and thin films |
Link to License: | In Copyright |
Bibliography of Konstanz: | Yes |
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} }
Kormányos_290145.pdf | 319 |