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| Main Authors: | , , , , , , , , |
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| Format: | Preprint |
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2024
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| Online Access: | https://arxiv.org/abs/2405.17327 |
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| _version_ | 1866910460365766656 |
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| author | Aggarwal, Garima Mirza, Adeem Saeed Riva, Stefania Comparotto, Corrado Frost, Robert J. W. Mukherjee, Soham Morales-Masis, Monica Rensmo, Håkan Scragg, Jonathan Staaf |
| author_facet | Aggarwal, Garima Mirza, Adeem Saeed Riva, Stefania Comparotto, Corrado Frost, Robert J. W. Mukherjee, Soham Morales-Masis, Monica Rensmo, Håkan Scragg, Jonathan Staaf |
| contents | Exploring the conduction mechanism in the chalcogenide perovskite BaZrS$_3$ is of significant interest due to its potential suitability as a top absorber layer in silicon-based tandem solar cells and other optoelectronic applications. Theoretical and experimental studies anticipate native ambipolar doping in BaZrS$_3$, although experimental validation remains limited. This study reveals a transition from highly insulating behavior to n-type conductivity in BaZrS$_3$ through annealing in an S-poor environment. BaZrS$_3$ thin films are synthesized $\textit{via}$ a two step process: co-sputtering of Ba-Zr followed by sulfurization at 600 $^{\circ}$C, and subsequent annealing in high vacuum. UV-Vis measurement reveal a red-shift in the absorption edge concurrent with sample color darkening after annealing. The increase in defect density with vacuum annealing, coupled with low activation energy and n-type character of defects, strongly suggests that sulfur vacancies (V$_{\mathrm{S}}$) are responsible, in agreement with theoretical predictions. The shift of the Fermi level towards conduction band minimum, quantified by Hard X-ray Photoelectron Spectroscopy (Ga K$α$, 9.25 keV), further corroborates the induced n-type of conductivity in annealed samples. Our findings indicate that vacuum annealing induces V$_{\mathrm{S}}$ defects that dominate the charge transport, thereby making BaZrS$_3$ an n-type semiconductor under S-poor conditions. This study offers crucial insights into understanding the defect properties of BaZrS$_3$, facilitating further improvements for its use in solar cell applications. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2405_17327 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Charge Transport and Defects in Sulfur-Deficient Chalcogenide Perovskite BaZrS$_3$ Aggarwal, Garima Mirza, Adeem Saeed Riva, Stefania Comparotto, Corrado Frost, Robert J. W. Mukherjee, Soham Morales-Masis, Monica Rensmo, Håkan Scragg, Jonathan Staaf Materials Science Exploring the conduction mechanism in the chalcogenide perovskite BaZrS$_3$ is of significant interest due to its potential suitability as a top absorber layer in silicon-based tandem solar cells and other optoelectronic applications. Theoretical and experimental studies anticipate native ambipolar doping in BaZrS$_3$, although experimental validation remains limited. This study reveals a transition from highly insulating behavior to n-type conductivity in BaZrS$_3$ through annealing in an S-poor environment. BaZrS$_3$ thin films are synthesized $\textit{via}$ a two step process: co-sputtering of Ba-Zr followed by sulfurization at 600 $^{\circ}$C, and subsequent annealing in high vacuum. UV-Vis measurement reveal a red-shift in the absorption edge concurrent with sample color darkening after annealing. The increase in defect density with vacuum annealing, coupled with low activation energy and n-type character of defects, strongly suggests that sulfur vacancies (V$_{\mathrm{S}}$) are responsible, in agreement with theoretical predictions. The shift of the Fermi level towards conduction band minimum, quantified by Hard X-ray Photoelectron Spectroscopy (Ga K$α$, 9.25 keV), further corroborates the induced n-type of conductivity in annealed samples. Our findings indicate that vacuum annealing induces V$_{\mathrm{S}}$ defects that dominate the charge transport, thereby making BaZrS$_3$ an n-type semiconductor under S-poor conditions. This study offers crucial insights into understanding the defect properties of BaZrS$_3$, facilitating further improvements for its use in solar cell applications. |
| title | Charge Transport and Defects in Sulfur-Deficient Chalcogenide Perovskite BaZrS$_3$ |
| topic | Materials Science |
| url | https://arxiv.org/abs/2405.17327 |