Origin of low carrier mobilities in halide perovskites
Halide perovskites constitute a new class of semiconductors that hold promise for low-cost solar cells and optoelectronics. One key property of these materials is the electron mobility, which determines the average electron speed due to a driving electric field. Here we elucidate the atomic-scale me...
| Main Authors: | , , |
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| פורמט: | Journal article |
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American Chemical Society
2019
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| _version_ | 1826263178470752256 |
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| author | Poncé, S Schlipf, M Giustino, F |
| author_facet | Poncé, S Schlipf, M Giustino, F |
| author_sort | Poncé, S |
| collection | OXFORD |
| description | Halide perovskites constitute a new class of semiconductors that hold promise for low-cost solar cells and optoelectronics. One key property of these materials is the electron mobility, which determines the average electron speed due to a driving electric field. Here we elucidate the atomic-scale mechanisms and theoretical limits of carrier mobilities in halide perovskites by performing a comparative analysis of the archetypal compound CH 3 NH 3 PbI 3 , its inorganic counterpart CsPbI 3 , and a classic semiconductor for light-emitting diodes, wurtzite GaN, using cutting-edge many-body ab initio calculations. We demonstrate that low-energy longitudinal-optical phonons associated with fluctuations of the Pb-I bonds ultimately limit the mobility to 80 cm 2 /(V s) at room temperature. By extending our analysis to a broad class of compounds, we identify a universal scaling law for the carrier mobility in halide perovskites, and we establish the design principles to realize high-mobility materials. |
| first_indexed | 2024-03-06T19:47:35Z |
| format | Journal article |
| id | oxford-uuid:22daac6f-9b98-4af2-a4b6-9e35fcce8c0c |
| institution | University of Oxford |
| last_indexed | 2024-03-06T19:47:35Z |
| publishDate | 2019 |
| publisher | American Chemical Society |
| record_format | dspace |
| spelling | oxford-uuid:22daac6f-9b98-4af2-a4b6-9e35fcce8c0c2022-03-26T11:40:59ZOrigin of low carrier mobilities in halide perovskitesJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:22daac6f-9b98-4af2-a4b6-9e35fcce8c0cSymplectic Elements at OxfordAmerican Chemical Society2019Poncé, SSchlipf, MGiustino, FHalide perovskites constitute a new class of semiconductors that hold promise for low-cost solar cells and optoelectronics. One key property of these materials is the electron mobility, which determines the average electron speed due to a driving electric field. Here we elucidate the atomic-scale mechanisms and theoretical limits of carrier mobilities in halide perovskites by performing a comparative analysis of the archetypal compound CH 3 NH 3 PbI 3 , its inorganic counterpart CsPbI 3 , and a classic semiconductor for light-emitting diodes, wurtzite GaN, using cutting-edge many-body ab initio calculations. We demonstrate that low-energy longitudinal-optical phonons associated with fluctuations of the Pb-I bonds ultimately limit the mobility to 80 cm 2 /(V s) at room temperature. By extending our analysis to a broad class of compounds, we identify a universal scaling law for the carrier mobility in halide perovskites, and we establish the design principles to realize high-mobility materials. |
| spellingShingle | Poncé, S Schlipf, M Giustino, F Origin of low carrier mobilities in halide perovskites |
| title | Origin of low carrier mobilities in halide perovskites |
| title_full | Origin of low carrier mobilities in halide perovskites |
| title_fullStr | Origin of low carrier mobilities in halide perovskites |
| title_full_unstemmed | Origin of low carrier mobilities in halide perovskites |
| title_short | Origin of low carrier mobilities in halide perovskites |
| title_sort | origin of low carrier mobilities in halide perovskites |
| work_keys_str_mv | AT ponces originoflowcarriermobilitiesinhalideperovskites AT schlipfm originoflowcarriermobilitiesinhalideperovskites AT giustinof originoflowcarriermobilitiesinhalideperovskites |