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

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.