Structural Stability and Optoelectronic Properties of Lead-Free Halide Perovskite CsSnBr by Introducing Transition-Metal Dopants
Journal of Electronic Materials, ISSN: 1543-186X, Vol: 51, Issue: 7, Page: 3438-3444
2022
- 4Citations
- 13Captures
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Article Description
In order to promote the actual optoelectronic application of lead-free perovskite CsSnBr, the stability and optoelectronic properties of metal dopants in the lead-free perovskite CsSnBr have been studied systematically by using first-principles calculations based on density functional theory. Cd and Mn doping is more efficient in CsSnBr than other considered metal dopants by calculating the doped formation energies. The stability of a doping system is related to the atomic radius of the dopant. Cr, Mn and Cu dopants can enlarge effectively the band gap of CsSnBr and show a higher optical absorption coefficient in short wavelength region of visible light compared to undoped ones. Our work may provide a feasible pathway to manipulate and improve the stability and optoelectronic performance of CsSnBr.
Bibliographic Details
Springer Science and Business Media LLC
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