Towards higher electro-optic response in AlScN

Fuente: arXiv
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Main Authors: Wang, Haochen, Mu, Sai, Van de Walle, Chris G.
Format: Preprint
Published: 2024
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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