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Abnormal variation in the host bandgap of Mn-doped perovskite CsPbCl3.
- Source :
-
Physica B . Feb2023, Vol. 650, pN.PAG-N.PAG. 1p. - Publication Year :
- 2023
-
Abstract
- Mn-doped halide perovskites as light-emitting materials have exhibited outstanding performance. However, the influence of Mn concentration on the luminescence performance is unclear. Herein we performed a theoretical study on the effect of Mn concentration on the luminescence behavior of Mn-doped perovskite CsPbCl 3. The results revealed an abnormal variation in the host photoluminescence peak, corresponding to bandgap transition of host CsPbCl 3 , with Mn concentration. The host bandgap shows a blue-shift first and a subsequent red-shift with increasing Mn concentration. Our theoretical analysis proved that the blue-shift in the host photoluminescence peak is attributed to the reduced antibonding between Pb s and Cl p orbitals atoms by Mn substituting Pb. The subsequent red-shift results from the shortened Pb–Cl bonds, pushing up the Pb s -Cl p antibonding states. Our work provides a further insight into the fundamental strategy of Mn doping for improving luminescence performance in perovskite-based light-emitting devices. [ABSTRACT FROM AUTHOR]
- Subjects :
- *LUMINESCENCE
*PHOTOLUMINESCENCE
*PEROVSKITE
Subjects
Details
- Language :
- English
- ISSN :
- 09214526
- Volume :
- 650
- Database :
- Academic Search Index
- Journal :
- Physica B
- Publication Type :
- Academic Journal
- Accession number :
- 160962385
- Full Text :
- https://doi.org/10.1016/j.physb.2022.414507