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k.p theory for two-dimensional transition metal dichalcogenide semiconductors
- Source :
- 2D Materials 2, 022001 (2015)
- Publication Year :
- 2014
-
Abstract
- We present $\mathbf{k}\cdotp\mathbf{p}$ Hamiltonians parametrised by {\it ab initio} density functional theory calculations to describe the dispersion of the valence and conduction bands at their extrema (the $K$, $Q$, $\Gamma$, and $M$ points of the hexagonal Brillouin zone) in atomic crystals of semiconducting monolayer transition metal dichalcogenides. We review the parametrisation of the essential parts of the $\mathbf{k}\cdotp\mathbf{p}$ Hamiltonians for MoS$_2$, MoSe$_2$, WS$_2$, and WSe$_2$, including the spin-splitting and spin-polarisation of the bands, and we discuss the vibrational properties of these materials. We then use $\mathbf{k}\cdotp\mathbf{p}$ theory to analyse optical transitions in two-dimensional transition metal dichalcogenides over a broad spectral range that covers the Van Hove singularities in the band structure (the $M$ points). We also discuss the visualisation of scanning tunnelling microscopy maps.<br />Comment: topical review, 52 pages, 16 MB. The arXiv version contains a couple of more relevant experimental references, which have appeared very recently, than the published version
- Subjects :
- Condensed Matter - Mesoscale and Nanoscale Physics
Subjects
Details
- Database :
- arXiv
- Journal :
- 2D Materials 2, 022001 (2015)
- Publication Type :
- Report
- Accession number :
- edsarx.1410.6666
- Document Type :
- Working Paper
- Full Text :
- https://doi.org/10.1088/2053-1583/2/2/022001