Analysis of Optical Properties of MoS₂ Monolayer using Minimal-Basis Tight-Binding Models

• Authors: N. Nouri , P. Potasz , S. Zia Borujeni , A. Wójs , G. Rashedi
• Languages of publication: EN

Abstracts

EN

Optical properties of transition metal dichalcogenides monolayer of MoS₂ are analyzed using multi-orbital tight-binding models with only Mo d-orbitals (three-band model) and with an inclusion of S p-orbitals (six-band model). We look at band structures, momentum matrix elements between valence and conduction band, and joint optical density of states. Good agreement between the two models is shown in a vicinity of K point of the Brillouin zone. On line connecting K and Γp points, a local conduction band minimum at Q point is recovered only by six-band model in agreement with density functional theory and experimental results. We show that optical transitions at this point are active for both light polarizations. A peak in joint optical density of states is also seen at this point suggesting its potentially important role in a proper description of excitonic effects.

Keywords

EN

73.20.At; 78.67.-n; 78.20.Bh

Discipline

• 78.67.-n: Optical properties of low-dimensional, mesoscopic, and nanoscale materials and structures(for magnetic properties of nanostructures, see 75.75.-c; for electronic transport in nanoscale structures, see 73.63.-b; for mechanical properties of nanoscale systems, see 62.25.-g)
• 78.20.Bh: Theory, models, and numerical simulation
• 73.20.At: Surface states, band structure, electron density of states

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2017
• Volume: 132
• Issue: 2
• Pages: 313-315

Dates

published

2017-08

Contributors

author

N. Nouri

• Department of Physics, Faculty of Sciences, University of Isfahan, Isfahan 81746-73441, Iran
• Department of Theoretical Physics, Wrocław University of Science and Technology, Wrocław, Poland

author

P. Potasz

• Department of Theoretical Physics, Wrocław University of Science and Technology, Wrocław, Poland

author

S. Zia Borujeni

• Department of Mathematics, Faculty of Sciences, Tehran Central Branch, Islamic Azad University, Tehran, Iran

author

A. Wójs

• Department of Theoretical Physics, Wrocław University of Science and Technology, Wrocław, Poland

author

G. Rashedi

• Department of Physics, Faculty of Sciences, University of Isfahan, Isfahan 81746-73441, Iran

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Identifiers

DOI

10.12693/APhysPolA.132.313