| Title: |
Parallel Exploration of the Optoelectronic Properties of (Sb,Bi)(S,Se)(Br,I) Chalcohalides |
| Authors: |
Nielsen, Rasmus S.; Álvarez, Ángel Labordet; Medaille, Axel G.; Caño, Ivan; Navarro-Güell, Alejandro; Álvarez, Cibrán L.; Cazorla, Claudio; Ferrer, David R.; Li-Kao, Zacharie J.; Saucedo, Edgardo; Dimitrievska, Mirjana |
| Publication Year: |
2025 |
| Collection: |
ArXiv.org (Cornell University Library) |
| Subject Terms: |
Materials Science |
| Description: |
Chalcohalides are an emerging family of semiconductors with irresistible material properties, shaped by the intricate interplay between their unique structural chemistry and vibrational dynamics. Despite their promise for next-generation solar energy conversion devices, their intrinsic optoelectronic properties remain largely unexplored. Here, we focus on the (Sb,Bi)(S,Se)(Br,I) system, a subset of compounds that share the same quasi-1D crystal structure. Using a two-step physical vapor deposition (PVD) process, we synthesize the eight ternary chalcohalide compounds, demonstrating bandgaps ranging from 1.38 to 2.08 eV with sharp, single-component photoluminescence (PL) peaks. In a parallel exploration of carrier dynamics and intrinsic electron-phonon interactions -- comprehensively studied using power-, temperature-dependent, and time-resolved PL measurements -- we map their direct impact on optoelectronic performance. Supported by first-principles density functional theory (DFT) defect calculations, we establish clear structure-property relations, identifying solid-solutions engineering as an effective means to fine-tune the native phonon structures and further suppress non-radiative recombination. This study provides a blueprint for optimizing chalcohalides as high-efficiency materials across a wide range of optoelectronic applications. |
| Document Type: |
text |
| Language: |
unknown |
| Relation: |
http://arxiv.org/abs/2505.14208 |
| Availability: |
http://arxiv.org/abs/2505.14208 |
| Accession Number: |
edsbas.70B685A9 |
| Database: |
BASE |