- Tytuł:
- Analysis of Optical Properties of MoS₂ Monolayer using Minimal-Basis Tight-Binding Models
- Autorzy:
-
Nouri, N.
Potasz, P.
Zia Borujeni, S.
Wójs, A.
Rashedi, G. - Powiązania:
- https://bibliotekanauki.pl/articles/1033775.pdf
- Data publikacji:
- 2017-08
- Wydawca:
- Polska Akademia Nauk. Instytut Fizyki PAN
- Tematy:
-
73.20.At
78.67.-n
78.20.Bh - Opis:
- 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.
- Źródło:
-
Acta Physica Polonica A; 2017, 132, 2; 313-315
0587-4246
1898-794X - Pojawia się w:
- Acta Physica Polonica A
- Dostawca treści:
- Biblioteka Nauki
Artykuł