Details
| Originalsprache | Englisch |
|---|---|
| Seiten (von - bis) | 51-56 |
| Seitenumfang | 6 |
| Fachzeitschrift | Solid state communications |
| Jahrgang | 253 |
| Frühes Online-Datum | 8 Feb. 2017 |
| Publikationsstatus | Veröffentlicht - März 2017 |
| Extern publiziert | Ja |
Abstract
Using first principles calculations, structural, electronic and optical properties of five new 2D boron nitride (BN) allotropes have been studied. The results exhibit that the cohesive energy for all these five new allotrope is positive such as all these systems are stable; therefore, it is possible to synthesize these structures in experiments. It is found that the band gap of all new 2D BN allotropes is smaller than the h-BN sheet. In our calculations the dielectric tensor is derived within the random phase approximation (RPA). Specifically, the dielectric function, refraction index and the loss function, of the 2D BN allotropes are calculated for both parallel and perpendicular electric field polarizations. The results show that the optical spectra are anisotropic along these two polarizations. The results obtained from our calculations are beneficial to practical applications of these 2D BN allotropes in optoelectronics and electronics.
ASJC Scopus Sachgebiete
- Chemie (insg.)
- Allgemeine Chemie
- Physik und Astronomie (insg.)
- Physik der kondensierten Materie
- Werkstoffwissenschaften (insg.)
- Werkstoffchemie
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in: Solid state communications, Jahrgang 253, 03.2017, S. 51-56.
Publikation: Beitrag in Fachzeitschrift › Artikel › Forschung › Peer-Review
}
TY - JOUR
T1 - New two-dimensional boron nitride allotropes with attractive electronic and optical properties
AU - Shahrokhi, Masoud
AU - Mortazavi, Bohayra
AU - Berdiyorov, Golibjon R.
N1 - Publisher Copyright: © 2017 Elsevier Ltd Copyright: Copyright 2018 Elsevier B.V., All rights reserved.
PY - 2017/3
Y1 - 2017/3
N2 - Using first principles calculations, structural, electronic and optical properties of five new 2D boron nitride (BN) allotropes have been studied. The results exhibit that the cohesive energy for all these five new allotrope is positive such as all these systems are stable; therefore, it is possible to synthesize these structures in experiments. It is found that the band gap of all new 2D BN allotropes is smaller than the h-BN sheet. In our calculations the dielectric tensor is derived within the random phase approximation (RPA). Specifically, the dielectric function, refraction index and the loss function, of the 2D BN allotropes are calculated for both parallel and perpendicular electric field polarizations. The results show that the optical spectra are anisotropic along these two polarizations. The results obtained from our calculations are beneficial to practical applications of these 2D BN allotropes in optoelectronics and electronics.
AB - Using first principles calculations, structural, electronic and optical properties of five new 2D boron nitride (BN) allotropes have been studied. The results exhibit that the cohesive energy for all these five new allotrope is positive such as all these systems are stable; therefore, it is possible to synthesize these structures in experiments. It is found that the band gap of all new 2D BN allotropes is smaller than the h-BN sheet. In our calculations the dielectric tensor is derived within the random phase approximation (RPA). Specifically, the dielectric function, refraction index and the loss function, of the 2D BN allotropes are calculated for both parallel and perpendicular electric field polarizations. The results show that the optical spectra are anisotropic along these two polarizations. The results obtained from our calculations are beneficial to practical applications of these 2D BN allotropes in optoelectronics and electronics.
UR - http://www.scopus.com/inward/record.url?scp=85012191749&partnerID=8YFLogxK
U2 - 10.1016/j.ssc.2017.02.002
DO - 10.1016/j.ssc.2017.02.002
M3 - Article
AN - SCOPUS:85012191749
VL - 253
SP - 51
EP - 56
JO - Solid state communications
JF - Solid state communications
SN - 0038-1098
ER -