Graphene-like dispersion and strong optical absorption in two-dimensional RP-type Sr3Ti2S7 perovskite
dc.contributor.author | Liu, Hairui | |
dc.contributor.author | Gao, Rui | |
dc.contributor.author | Yang, Jien | |
dc.contributor.author | Banthia, Rohan Dinesh | |
dc.contributor.author | Yang, Feng | |
dc.contributor.author | Wang, Tianxing | |
dc.contributor.author | Upadhyaya, Hari | |
dc.contributor.author | Jain, Sagar M. | |
dc.date.accessioned | 2024-02-28T14:13:46Z | |
dc.date.available | 2024-02-28T14:13:46Z | |
dc.date.issued | 2023-11-15 | |
dc.description.abstract | Two-dimensional (2D) Ruddlesden–Popper (RP) perovskite alloys have recently become attractive due to many desired physical properties originating from distinct van der Waals-type layered structures. In this work, a novel 2D RP-type Sr3Ti2S7 perovskite material design is proposed by using first-principles calculations. Our results reveal that the 2D Sr3Ti2S7 perovskite possesses dynamically stable structures, direct band structures with a band gap value of 0.86 eV, and a smaller effective mass (0.15/0.25 m0 for electron/hole) than MAPbI3 and phosphorene. More importantly, 2D Sr3Ti2S7 possesses wide optical spectra (from infrared-to ultraviolet-light region) and a higher absorption coefficient (105 cm–1) than MAPbI3, silicon, and MoS2 in the visible-light region. Interestingly, we also find that the ideal Dirac-like linear dispersion can appear near the Fermi level in the electronic band structures when compressive strain is applied. Especially, the Dirac-cone-like band structures can be realized when compressive strain is enhanced to −6%, indicating ultrahigh carrier mobility. These properties make the 2D Sr3Ti2S7 perovskite a promising candidate for future applications in solar cells and optoelectronic devices. | en_UK |
dc.identifier.citation | Liu H, Gao R, Yang J, et al., (2023) Graphene-like dispersion and strong optical absorption in two-dimensional RP-type Sr3Ti2S7 perovskite. Crystal Growth & Design, Volume 23, Issue 12, November 2023, pp. 8575-8583 | en_UK |
dc.identifier.issn | 1528-7483 | |
dc.identifier.uri | https://doi.org/10.1021/acs.cgd.3c00608 | |
dc.identifier.uri | https://dspace.lib.cranfield.ac.uk/handle/1826/20896 | |
dc.language.iso | en | en_UK |
dc.publisher | American Chemical Society | en_UK |
dc.rights | Attribution 4.0 International | * |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | * |
dc.title | Graphene-like dispersion and strong optical absorption in two-dimensional RP-type Sr3Ti2S7 perovskite | en_UK |
dc.type | Article | en_UK |
dcterms.dateAccepted | 2023-10-18 |
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