Towards higher electro-optic response in AlScN
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arXiv
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| Format: | Preprint |
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2024
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| _version_ | 1866929551387394048 |
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| author | Wang, Haochen Mu, Sai Van de Walle, Chris G. |
| author_facet | Wang, Haochen Mu, Sai Van de Walle, Chris G. |
| contents | Novel materials with large electro-optic (EO) coefficients are essential for developing ultra-compact broadband modulators and enabling effective quantum transduction. Compared to lithium niobate, the most widely used nonlinear optical material, wurtzite AlScN offers advantages in nano-photonic devices due to its compatibility with integrated circuits. We perform detailed first-principles calculations to investigate the electro-optic effect in $\mathrm{Al}_{1-x}\mathrm{Sc}_{x}\mathrm{N}$ alloys and superlattices. At elevated Sc concentrations in alloys, the EO coefficients increase; importantly, we find that cation ordering along the $c$ axis leads to enhanced EO response. Strain engineering can be used to further manipulate the EO coefficients of AlScN films. With applied in-plane strains, the piezoelectric contributions to the EO coefficients increase dramatically, even exceeding 251 pm/V. We also explore the possibility of EO enhancement through superlattice engineering, finding that nonpolar $a$-plane $\mathrm{(AlN)}_m/\mathrm{(ScN)}_n$ superlattices increase EO coefficients beyond 40 pm/V. Our findings provide design principles to enhance the electro-optic effect through alloy engineering and heterostructure architecture. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2410_07444 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Towards higher electro-optic response in AlScN Wang, Haochen Mu, Sai Van de Walle, Chris G. Materials Science Novel materials with large electro-optic (EO) coefficients are essential for developing ultra-compact broadband modulators and enabling effective quantum transduction. Compared to lithium niobate, the most widely used nonlinear optical material, wurtzite AlScN offers advantages in nano-photonic devices due to its compatibility with integrated circuits. We perform detailed first-principles calculations to investigate the electro-optic effect in $\mathrm{Al}_{1-x}\mathrm{Sc}_{x}\mathrm{N}$ alloys and superlattices. At elevated Sc concentrations in alloys, the EO coefficients increase; importantly, we find that cation ordering along the $c$ axis leads to enhanced EO response. Strain engineering can be used to further manipulate the EO coefficients of AlScN films. With applied in-plane strains, the piezoelectric contributions to the EO coefficients increase dramatically, even exceeding 251 pm/V. We also explore the possibility of EO enhancement through superlattice engineering, finding that nonpolar $a$-plane $\mathrm{(AlN)}_m/\mathrm{(ScN)}_n$ superlattices increase EO coefficients beyond 40 pm/V. Our findings provide design principles to enhance the electro-optic effect through alloy engineering and heterostructure architecture. |
| title | Towards higher electro-optic response in AlScN |
| topic | Materials Science |
| url | https://arxiv.org/abs/2410.07444 |