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

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k · p theory for two-dimensional transition metal dichalcogenide semiconductors. / Kormanyos, Andor; Burkard, Guido; Gmitra, Martin et al.
In: 2D Materials, Vol. 2, No. 2, 022001, 06.2015.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Harvard

Kormanyos, A, Burkard, G, Gmitra, M, Fabian, J, Zolyomi, V, Drummond, N & Falko, V 2015, 'k · p theory for two-dimensional transition metal dichalcogenide semiconductors', 2D Materials, vol. 2, no. 2, 022001. https://doi.org/10.1088/2053-1583/2/2/022001

APA

Kormanyos, A., Burkard, G., Gmitra, M., Fabian, J., Zolyomi, V., Drummond, N., & Falko, V. (2015). k · p theory for two-dimensional transition metal dichalcogenide semiconductors. 2D Materials, 2(2), Article 022001. https://doi.org/10.1088/2053-1583/2/2/022001

Vancouver

Kormanyos A, Burkard G, Gmitra M, Fabian J, Zolyomi V, Drummond N et al. k · p theory for two-dimensional transition metal dichalcogenide semiconductors. 2D Materials. 2015 Jun;2(2):022001. Epub 2015 Apr 2. doi: 10.1088/2053-1583/2/2/022001

Author

Kormanyos, Andor ; Burkard, Guido ; Gmitra, Martin et al. / k · p theory for two-dimensional transition metal dichalcogenide semiconductors. In: 2D Materials. 2015 ; Vol. 2, No. 2.

Bibtex

@article{be97edc2084240c9a8e172dc4c94ffde,
title = "k · p theory for two-dimensional transition metal dichalcogenide semiconductors",
abstract = "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.",
keywords = "monolayer transition metal dichalcogenides, two dimensional materials, electrical and optical properties",
author = "Andor Kormanyos and Guido Burkard and Martin Gmitra and Jaroslav Fabian and Viktor Zolyomi and Neil Drummond and Vladimir Falko",
year = "2015",
month = jun,
doi = "10.1088/2053-1583/2/2/022001",
language = "English",
volume = "2",
journal = "2D Materials",
issn = "2053-1583",
publisher = "IOP Publishing Ltd.",
number = "2",

}

RIS

TY - JOUR

T1 - k · p theory for two-dimensional transition metal dichalcogenide semiconductors

AU - Kormanyos, Andor

AU - Burkard, Guido

AU - Gmitra, Martin

AU - Fabian, Jaroslav

AU - Zolyomi, Viktor

AU - Drummond, Neil

AU - Falko, Vladimir

PY - 2015/6

Y1 - 2015/6

N2 - 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.

AB - 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.

KW - monolayer transition metal dichalcogenides

KW - two dimensional materials

KW - electrical and optical properties

U2 - 10.1088/2053-1583/2/2/022001

DO - 10.1088/2053-1583/2/2/022001

M3 - Journal article

VL - 2

JO - 2D Materials

JF - 2D Materials

SN - 2053-1583

IS - 2

M1 - 022001

ER -