Design Principles and Identification of Birefringent Materials
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arXiv
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| Format: | Preprint |
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2025
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| author | Jung, Gwan Yeong Ren, Guodong Omprakash, Pravan Ravichandran, Jayakanth Mishra, Rohan |
| author_facet | Jung, Gwan Yeong Ren, Guodong Omprakash, Pravan Ravichandran, Jayakanth Mishra, Rohan |
| contents | Birefringence ($Δn$) is the dependence of the refractive index of a material on the polarization of light travelling through it. Birefringent materials are used as polarizers, waveplates, and for novel light-matter coupling. While several birefringent materials exist, only a handful of them show large $Δn$ > 0.3, and are primarily limited to the infrared region. The variation of $Δn$ across diverse materials classes and strategies to achieve highly birefringent materials with transparency covering different regions of the electromagnetic spectrum are missing. We have calculated the $Δn$ of 967 non-cubic, formable crystals having vastly different structures, polyhedral connectivity and chemical compositions. From this set of compounds, we have screened highly birefringent crystals ($Δn$ greater than 0.3) having transparency in different regions of the electromagnetic spectrum. The screened compounds belong to several families such as A3'MN3, AMO2, AN3, and A'N6 (A = Li, Na, K; A'= Ca, Sr, Ba; M = V, Nb, Ta). By analyzing the electronic structures of these compounds, we have distilled rules to enable the design of crystals with large $Δn$. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2507_17632 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Design Principles and Identification of Birefringent Materials Jung, Gwan Yeong Ren, Guodong Omprakash, Pravan Ravichandran, Jayakanth Mishra, Rohan Materials Science Optics Birefringence ($Δn$) is the dependence of the refractive index of a material on the polarization of light travelling through it. Birefringent materials are used as polarizers, waveplates, and for novel light-matter coupling. While several birefringent materials exist, only a handful of them show large $Δn$ > 0.3, and are primarily limited to the infrared region. The variation of $Δn$ across diverse materials classes and strategies to achieve highly birefringent materials with transparency covering different regions of the electromagnetic spectrum are missing. We have calculated the $Δn$ of 967 non-cubic, formable crystals having vastly different structures, polyhedral connectivity and chemical compositions. From this set of compounds, we have screened highly birefringent crystals ($Δn$ greater than 0.3) having transparency in different regions of the electromagnetic spectrum. The screened compounds belong to several families such as A3'MN3, AMO2, AN3, and A'N6 (A = Li, Na, K; A'= Ca, Sr, Ba; M = V, Nb, Ta). By analyzing the electronic structures of these compounds, we have distilled rules to enable the design of crystals with large $Δn$. |
| title | Design Principles and Identification of Birefringent Materials |
| topic | Materials Science Optics |
| url | https://arxiv.org/abs/2507.17632 |