Electronic mobility, doping, and defects in epitaxial $\mathrm{BaZrS_3}$ chalcogenide perovskite thin films
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arXiv
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| Autores principales: | , , , , , |
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| Formato: | Preprint |
| Publicado: |
2025
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| _version_ | 1866910982008209408 |
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| author | Van Sambeek, Jack Dong, Jessica Ievlev, Anton V. Cai, Tao Sadeghi, Ida Jaramillo, Rafael |
| author_facet | Van Sambeek, Jack Dong, Jessica Ievlev, Anton V. Cai, Tao Sadeghi, Ida Jaramillo, Rafael |
| contents | We present the electronic transport properties of $\mathrm{BaZrS_3}$ (BZS) thin films grown epitaxially by gas-source molecular beam epitaxy (MBE). We observe n-type behavior in all samples, with carrier concentration ranging from $4 \times 10^{18}$ to $4 \times 10^{20} \mathrm{cm^{-3}}$ at room temperature (RT). We observe a champion RT Hall mobility of 11.1 $\mathrm{cm^2V^{-1}s^{-1}}$, which is competitive with established thin-film photovoltaic (PV) absorbers. Temperature-dependent Hall mobility data show that phonon scattering dominates at room temperature, in agreement with computational predictions. X-ray diffraction data illustrate a correlation between mobility and stacking fault concentration, illustrating how microstructure can affect transport. Despite the well-established environmental stability of chalcogenide perovskites, we observe significant changes to electronic properties as a function of storage time in ambient conditions. With the help of secondary-ion mass-spectrometry (SIMS) measurements, we propose and support a defect mechanism that explains this behavior: as-grown films have a high concentration of sulfur vacancies that are shallow donors ($\mathrm{V_S^\bullet}$ or $\mathrm{V_S^{\bullet \bullet}}$), which are converted into neutral oxygen defects ($\mathrm{O_S^\times}$) upon air exposure. We discuss the relevance of this defect mechanism within the larger context of chalcogenide perovskite research, and we identify means to stabilize the electronic properties. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2505_16016 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Electronic mobility, doping, and defects in epitaxial $\mathrm{BaZrS_3}$ chalcogenide perovskite thin films Van Sambeek, Jack Dong, Jessica Ievlev, Anton V. Cai, Tao Sadeghi, Ida Jaramillo, Rafael Materials Science We present the electronic transport properties of $\mathrm{BaZrS_3}$ (BZS) thin films grown epitaxially by gas-source molecular beam epitaxy (MBE). We observe n-type behavior in all samples, with carrier concentration ranging from $4 \times 10^{18}$ to $4 \times 10^{20} \mathrm{cm^{-3}}$ at room temperature (RT). We observe a champion RT Hall mobility of 11.1 $\mathrm{cm^2V^{-1}s^{-1}}$, which is competitive with established thin-film photovoltaic (PV) absorbers. Temperature-dependent Hall mobility data show that phonon scattering dominates at room temperature, in agreement with computational predictions. X-ray diffraction data illustrate a correlation between mobility and stacking fault concentration, illustrating how microstructure can affect transport. Despite the well-established environmental stability of chalcogenide perovskites, we observe significant changes to electronic properties as a function of storage time in ambient conditions. With the help of secondary-ion mass-spectrometry (SIMS) measurements, we propose and support a defect mechanism that explains this behavior: as-grown films have a high concentration of sulfur vacancies that are shallow donors ($\mathrm{V_S^\bullet}$ or $\mathrm{V_S^{\bullet \bullet}}$), which are converted into neutral oxygen defects ($\mathrm{O_S^\times}$) upon air exposure. We discuss the relevance of this defect mechanism within the larger context of chalcogenide perovskite research, and we identify means to stabilize the electronic properties. |
| title | Electronic mobility, doping, and defects in epitaxial $\mathrm{BaZrS_3}$ chalcogenide perovskite thin films |
| topic | Materials Science |
| url | https://arxiv.org/abs/2505.16016 |