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arXiv · 2512.00726

First-principles calculations of elasto-optical properties of $R$Te$_3$

Kuiqing Tang
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Abstract

Rare-earth tritellurides ($R$Te$_3$) exhibit complex charge-density-wave (CDW) phases intertwined with lattice symmetry, offering a platform to explore unconventional symmetry breaking in correlated materials. Elasto-optical probing, which detects strain-induced changes in birefringence, provides a non-invasive approach to visualize anisotropy and emergent order in these quasi-two-dimensional systems. However, the magnitude and symmetry of the expected optical response remain poorly quantified, hindering experimental interpretation. Here, we perform first-principles calculations of the elastic, dielectric, and piezo-optical tensors of NdTe$_3$ to establish a quantitative framework for strain-induced optical anisotropy. These results establish a quantitative link between lattice strain and optical response in $R$Te$_3$, providing a predictive framework for probing symmetry-breaking states via elasto-birefringence.

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Kuiqing Tang. 2025-11-30. First-principles calculations of elasto-optical properties of $R$Te$_3$. https://arxiv.org/abs/2512.00726

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