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Electronic properties of GaSe/MoS2 and GaS/MoSe2 heterojunctions from first principles calculations
- Source :
- AIP Advances, Vol 8, Iss 7, Pp 075207-075207-9 (2018)
- Publication Year :
- 2018
- Publisher :
- AIP Publishing LLC, 2018.
-
Abstract
- In this work, we theoretically investigate electronic properties of GaSeMoS2 and GaSMoSe2 heterojunctions using density functional theory based on first-principles calculations. The results show that both GaSeMoS2 and GaSMoSe2 heterojunctions are characterized by the weak vdW interactions with a corresponding interlayer distance of 3.45 Å and 3.54 Å, and the binding energy of −0.16 eV per GaSeGaS cell. Furthermore, one can observe that both the GaSeMoS2, and GaSMoSe2 heterojunctions are found to be indirect band gap semiconductors with a corresponding band gap of 1.91 eV and 1.23 eV, respectively. We also find that the band gaps of these semiconductors belong to type II band alignment. A type–II band alignment in both GaSeMoS2 and GaSMoSe2 heterojunctions open their potential applications as novel materials such as in designing and fabricating new generation of photovoltaic and optoelectronic devices.
Details
- Language :
- English
- ISSN :
- 21583226
- Volume :
- 8
- Issue :
- 7
- Database :
- Directory of Open Access Journals
- Journal :
- AIP Advances
- Publication Type :
- Academic Journal
- Accession number :
- edsdoj.5116e89d96ec4664b8931ea31bee9b2e
- Document Type :
- article
- Full Text :
- https://doi.org/10.1063/1.5033348